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yjl2007

金虫 (正式写手)

[求助] 求助一化合物微谱数据结构

化合物数据:15.9, 16.0, 17.2, 18.9, 20.7, 20.9, 21.5, 21.8, 22.0, 26.5, 27.6, 30.4, 33.9, 35.2, 36.6, 39.0, 41.1, 42.7, 47.5, 47.9, 49.7, 53.3, 53.7, 55.4, 57.3, 57.6, 58.6, 71.9, 87.4, 217.5
溶剂:CDCl3
谢谢
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kaola0916

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感谢参与,应助指数 +1
yjl2007: 金币+10 2012-06-11 21:03:05
?????????????  
???????????
????С??????????????????????????(,)??????磺
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
15.9, 16.0, 17.2, 18.9, 20.7, 20.9, 21.5, 21.8, 22.0, 26.5, 27.6, 30.4, 33.9, 35.2, 36.6, 39.0, 41.1, 42.7, 47.5, 47.9, 49.7, 53.3, 53.7, 55.4, 57.3, 57.6, 58.6, 71.9, 87.4, 217.5  
?????? ??? CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN ??????  
?????? (???????????????趨)
??????  %(?????>=50%)  




???????????鵽889????????(???????????ο?)  
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1 .     (20R)-hydroxydammarane-3,12-dione
C30H50O3     ?????:73.3%
Journal of Natural Products          1997          60          1236-1241
Microbial Transformation of Protopanaxadiol and Protopanaxatriol Derivatives with Mycobacterium sp. (NRRL B-3805)
K. C. Wang, Perng-Haur Wang, and Shoei-Sheng Lee
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

2 .     3??-hydroxygammaceran-21-one
C30H50O2     ?????:73.3%
Journal of Natural Products          1994          Vol 57          761
Saturated Gammaceranes from the Stem Bark of Abies mariesii
Reiko Tanaka, Tomoshi Mizota, Shunyo Matsunaga
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

3 .     3-oxo-20S,24R-epoxy-dammarane-25??,26-dial
C30H50O4     ?????:73.3%
Phytochemistry          1993          32          469-471
3-oxo-20S,24R-epoxy-dammarane-25??,26-diol from Mangifera indica
V. Anjaneyulu, J. Suresh Babu, M. Murali Krishna, J. D. Connolly
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

4 .     20R,21-epoxydammar-24-ene-3,23-dione
C30H46O3     ?????:73.3%
Magnetic Resonance in Chmesitry          2005          43          943-947
Two new dammarane triterpenoids from Kageneckia angustifolia D. Don
Jos?? Luis L??pez-P??rez, Silvia Erazo, Carla Delporte, Rosa Negrete, Orlando Muñoz, Rub??n Garc??a, Nadine Backhouse and Arturo San Feliciano
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

5 .     moretenone
    ?????:73.3%
Chinese Traditional and Herbal Drugs          2003          34          13-15
Studies on chemical constituents of Sapium chihsinianum
QI Shu hua; WU Shao hua; MA Yun bao; LUO Xiao dong; WU Da gang
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

6 .     20R,24R-epoxy-3-oxo-dammarane-25??,26-diol
C30H50O4     ?????:73.3%
Phytochemistry Letters          2011          4          183-186
Dammarane triterpenes from the apical buds of Gardenia collinsae
Thanesuan Nuanyai, Ruengrit Sappapan, Tirayut Vilaivan, Khanitha Pudhom
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

7 .     20R,24S-epoxy-3-oxo-dammarane-25??,26-diol
C30H50O4     ?????:73.3%
Phytochemistry Letters          2011          4          183-186
Dammarane triterpenes from the apical buds of Gardenia collinsae
Thanesuan Nuanyai, Ruengrit Sappapan, Tirayut Vilaivan, Khanitha Pudhom
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

8 .     compound 7
    ?????:70.9%
Phytochemistry          1994          35          739-743
24-methyl-25-ethyldammarane derivatives from Pilocarpus spicatus
Manoel Andrade-Neto, Edilberto R. Silveira, Raimundo Braz-Filho, Maria Teresa P. Gambardela, Regina Helena A. Santos
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

9 .     12??,20R-dihydroxydammaran-3-one
C30H52O3     ?????:70%
Journal of Natural Products          1997          60          1236-1241
Microbial Transformation of Protopanaxadiol and Protopanaxatriol Derivatives with Mycobacterium sp. (NRRL B-3805)
K. C. Wang, Perng-Haur Wang, and Shoei-Sheng Lee
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

10 .     gammacer-16-en-3-one
C30H48O     ?????:70%
Chemical & Pharmaceutical Bulletin          1995          43          1634-1639
Composite Constituents : Forty-Two Triterpenoids Including Eight Novel Compounds Isolated from Picris hieracioides subsp. Japonica
Kenji SHIOJIMA,Kazuo MASUDA,Hideki SUZUKI,Tokuhide LIN,Yuko OOISHI and Hiroyuki AGETA
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

11 .     lupenone
C30H48O     ?????:70%
Acta Botanica Sinica          2002          44          354-358
Triterpenoids from the Dai Medicinal Plant Winchia calophylla
ZHU Wei-Ming, SHEN Yue-Mao, HONG Xin, ZUO Guo-Ying, YANG Xiao-Sheng, HAO Xiao-Jiang
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

12 .     Phyllanthone (13,27-cycloursan-3-one)
C30H48O     ?????:70%
Phytochemistry Letters          2008          1          11-17
Triterpenoids from the African tree Phyllanthus polyanthus
Vuyelwa J. Ndlebe, Neil R. Crouch, Dulcie A. Mulholland
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

13 .     lupenone,lup-20(29)-en-3-one
C38H48O     ?????:70%
Natural Product Research          1996          8          97-103
Triterpenes from Acacia Dealbata
Florbela B. M. Pereira; Fernando M. J. Domingues; Artur M. S. Silva
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

14 .     11??-hydroxy-urs-12-en-3-one
C30H48O2     ?????:70%
Natural Product Research          1999          13          187-194
New Ursane Type Triterpenes From Salvia Mellifera Greene
Javier G. Luis; Luc?? S. Andr??s
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

15 .     lupeone
    ?????:70%
China Journal of Chinese Materia Medica          2006          31          1168-1171
Compounds from marine mangrove plant Bruguiera sexangula var. rhynchopetala
BAO Shuyun, LIN Wenhan
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

16 .     lupenone
    ?????:70%
China Journal of Chinese Materia Medica          2006          31          1872-1875
Studies on constituents in herb of Senecio scandens
CHENG Luxin, MA Hongyan, ZHANG Mian, ZHANG Chaofeng, WANG Zhengtao
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

17 .     lupenone
    ?????:70%
China Journal of Chinese Materia Medica          2006          31          1953-1955
Chemical constitutents of Bauhinia aurea
SHANG Xiaoya, LI Shuai, WANG Yinghong, WANG Sujuan, YANG Yongchun, SHI Jiangong
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

18 .     3-oxo-20S-hydroxytaraxastane
C30H52O2     ?????:70%
Fitoterapia          2001          72          709-711
Triterpenes from the resin of Protium heptaphyllum
G.S. Susunaga, A.C. Siania, M.G. Pizzolatti,R.A. Yunes, F. Delle Monache
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

19 .     lup-20(29)-en-3-on-28-oic acid
    ?????:70%
Acta Pharmaceutica Sinica          2005          Vol 40          935-939
Chemical constituents from the mangrove plant Ceriops tagal
ZHANG Yan; DENG Zhi-wei; GAO Tian-xiang; FU Hong-zheng; LIN Wen-han
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

20 .     20,29-Epoxysalacianone
C30H46O3     ?????:70%
Phytochemistry          1996          42          789-794
20, 29-Epoxysalacianone and 6??-hydroxysalacianone, two lupane triterepenes from Salacia beddomei
A. Hisham, G. Jaya Kumar, Y. Fujimoto, N. Hara
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

21 .     Gammacer-16-ene-3-one
C30H48O     ?????:70%
Phytochemistry          1996          41          1573-1577
Triterpenoids from Melilotus messanensis; soyasapogenol G, the first natural carbonate derivative
Francisco A. Mac??as*, Ana M. Simonet, M. Dolores Esteban, Juan Carlos G. Galindo
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

22 .     Lup-20(29)-en-3-one
    ?????:70%
Phytochemistry          1995          40          1227-1231
Salacianone and salacianol, two triterpenes from Salacia beddomei
A. Hisham, G. Jaya Kumar, Y. Fujimoto, N. Hara
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

23 .     gammacerane-3,21-dione
C30H48O2     ?????:70%
Phytochemistry          1995          39          1403-1409
Steroids and terpenoids from the gum resin of Ailanthus grandis
T. Hung, H. Stuppner, E. P. Ellmerer-M??ller, D. Scholz, D. Eigner, M. P. Manandhar
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

24 .     compound 338
    ?????:70%
Phytochemistry          1994          37          1517-1575
13C NMR Spectra of pentacyclic triterpenoids??a compilation and some salient features
Shashi B. Mahato, Asish P. Kundu
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

25 .     compound 359
    ?????:70%
Phytochemistry          1994          37          1517-1575
13C NMR Spectra of pentacyclic triterpenoids??a compilation and some salient features
Shashi B. Mahato, Asish P. Kundu
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

26 .     hydroxyhopanone
C30H50O2     ?????:70%
Phytochemistry          1992          31          3535-3539
Saturated hopane and gammacerane triterpene-diols from the stem bark of Abies veitchii
Reiko Tanaka, Shunyo Matsunaga
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

27 .     limocinone
C30H48O     ?????:70%
Phytochemistry          1991          30          1615-1619
Terpenoids from fruit coatings of Azadirachta indica
Salimuzzaman Siddiqui, Bina Shaheen Siddiqui, Ghiasuddin, Shaheen Faizi
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

28 .     lupeone
    ?????:70%
China Journal of Chinese Materia Medica          2010          35          3156-3160
Chemical constituents from roots of Pueraria lobata
LI Guohui; ZHANG Qingwen; WANG Yitao
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

29 .     ??????
C30H48O     ?????:70%
Chinese Traditional and Herbal Drugs          2005          36          982-983
???????????????о?
??????,???,?????,???,????
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

30 .     ?????-20(29)-?-3-?
C30H48O     ?????:70%
Chinese Traditional and Herbal Drugs          2005          36          1466-1467
????????????о?(??)
????,?賿??,??С÷,?????
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

31 .     Betulonic acid
    ?????:70%
Archives of Pharmacal Research          2006          29          203-208
Cytotoxic terpenes and lignans from the roots of Ainsliaea acerifolia
Sang Zin Choi, Min Cheol Yang, Sang Un Choi and Kang Ro Lee
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

32 .     22-hydroxyhopan-3-one
    ?????:70%
Chinese Journal of Medicinal Chemistry          2009          19          195-199
Triterpenoidal constituents of Pericampylus glaucus and their antitumor activity in vitro
ZHAO We i-quan, CUI Cheng-bin
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

33 .     lupeone
    ?????:70%
Journal of Shenyang Pharmaceutical University          2010          27          113-115
Isolation and identification of chemical constituents from stems and leaves of Quercus variabilis Blume
XIN Yan, LI Qian, JIA Ling-yun, YUAN Jiu-zhi, SUN Qi-shi
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

34 .     ??????
C30H48O     ?????:70%
Journal of China Pharmaceutical University          2001          32          336-338
Study on the Liposoluble Components of the Caulis spatholobi
YAN Qi Xin; LI Ping; WANG Di
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

35 .     compound
C30H48O     ?????:70%
Bulletin of the Korean Chemical Society          2001          22          59-62
Purification, Structure Determination and Biological Activities of 20(29)-lupen-3-one from Daedaleopsis tricolor (Bull. ex Fr.) Bond. et Sing.
Eun-Mi Kim, Hae-Ryong Jung, Tae-Jin Min
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

36 .     3-O-methylbetulinic aldehyde
C31H50O2     ?????:70%
Bioorganic & Medicinal Chemistry          2010          18          2549-2558
Synthesis and biological evaluation of antitumor-active ??-butyrolactone substituted betulin derivatives
Ren?? Csuk, Alexander Barthel, Stefan Schwarz, Harish Kommera, Reinhard Paschke
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

37 .     17,24-epoxy-25-hydroxy-3-oxobaccharan-21-oic acid
C30H48O5     ?????:70%
The Journal of Organic Chemistry          2004          69          3350-3358
Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris
Bang Yeon Hwang, Bao-Ning Su, Heebyung Chai, Qiuwen Mi, Leonardus B. S. Kardono, Johar J. Afriastini, Soedarsono Riswan, Bernard D. Santarsiero, Andrew D. Mesecar, Robert Wild, Craig R. Fairchild, Gregory D. Vite, William C. Rose, Norman R. Farnsworth, Ge
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

38 .     lupenone
    ?????:70%
Journal of the Chinese Chemical Society          1998          45          103-110
Chemical Constituents of Neolitsea parvigemma and Neolitsea Konishii
????B(Keh-Shaw Chen);?????s(Fang-Rong Chang);?Z???(Yi-Chen Chia);?????p(Tian-Shung Wu);??????(Yang-Chang Wu)
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

39 .     Lupenone
    ?????:70%
Journal of Chinese Pharmaceutical Sciences          2010          19          387-392
Assignment of the absolute stereochemistry of an unusual diterpenoid from the mangrove plant Excoecaria agallocha L.
Zhen Liu; Wei Jiang; Zhi-Wei Deng; Wen-Han Lin*
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

40 .     (20S,25S)-20,25-epoxy-25-methoxy-24,24-dimethyl-26,27-inordammaran-3-one
C31H52O3     ?????:67.7%
Helvetica Chimica Acta          2008          Vol. 91          333
Two Novel abeo-Dammaranes with a Six-Membered Acetal Moiety from Aglaia perviridis Hiern
Shu-Min Yang, Chang-Heng Tan, Hong-Feng Luo, Dong-Xiao Wang, and Da-Yuan Zhu
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

41 .     13??,14??-epoxy-21??-methoxyserratan-3-one
C31H50O3     ?????:67.7%
Journal of Natural Products          2001          64          1044-1047
Structure and Stereochemistry of Epoxyserratanes from the Cuticle of Picea jezoensis var. jezoensis
Reiko Tanaka, Kazuhiro Tsujimoto, Yasuko In,Toshimasa Ishida, Shunyo Matsunaga, and Yukimasa Terada
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

42 .     21??-methoxyserrat-13-ene-3,15-dione
C31H48O3     ?????:67.7%
Journal of Natural Products          1997          60          319-322
New Methoxytriterpene Dione from the Cuticle of Picea jezoensis var. jezoensis
Reiko Tanaka, Kazuhiro Tsujimoto, Yasuko In, and Shunyo Matsunaga
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

43 .     3-Oxo-11??-methoxyurs-12-ene
C31H50O2     ?????:67.7%
Phytochemistry          2010          71          1741-1748
Antiproliferative terpenoids and alkaloids from the roots of Maytenus vitis-idaea and Maytenus spinosa
Mar??a Tereza Rojo de Almeida, Carla R??os-Luci, Jos?? M. Padr??n, Jorge A. Palermo
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

44 .     methyl 3-oxolupan-28-oate
C31H50O3     ?????:67.7%
Russian Journal of Organic Chemistry          2009          45          1464-1467
First examples of hydroxycyclopropanation in the series of lupane triterpenoids
V. N. Odinokov, E. R. Shakurova, L. M. Khalilov and U. M. Dzhemilev
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

45 .     3-Oxo-28-nor-18??(H)-lupan-17??-yl acetate
C31H50O3     ?????:67.7%
Natural Product Communications          2008          3          1569-1574
Oxidative Decarboxylation of Triterpene C-28 Acids ofLupane Series
Nataliya G. ??omissarova, Nataliya G. Belenkova, Olga V. Shitikova, Leonid V. Spirikhin andMarat S. Yunusov
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

46 .     foliasalaci B1
C30H50O2     ?????:66.6%
Chemical & Pharmaceutical Bulletin          2008          56(7)          915-920
Hnew Triterpene Constituents, Foliasalacins A1??A4, B1??B3, and C, from the Leaves of Salacia chinensis
Masayuki YOSHIKAWA,Yi ZHANG, Tao WANG, Seikou NAKAMURA, and Hisashi MATSUDA
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

47 .     foliasalaci B2
C30H50O2     ?????:66.6%
Chemical & Pharmaceutical Bulletin          2008          56(7)          915-920
Hnew Triterpene Constituents, Foliasalacins A1??A4, B1??B3, and C, from the Leaves of Salacia chinensis
Masayuki YOSHIKAWA,Yi ZHANG, Tao WANG, Seikou NAKAMURA, and Hisashi MATSUDA
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

48 .     3-oxo-15??-hydroxylup-20(29)-en-28-oic
C30H46O4     ?????:66.6%
Phytochemistry          2007          68          834-839
Biotransformation of betulinic and betulonic acids by fungi
Denise Z.L. Bastos,Ida C. Pimentel, Daniel A. de Jesus,Br??s H. de Oliveira
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

49 .     17??,21??-epoxyhopan-3-one
C30H48O2     ?????:66.6%
Phytochemistry          2002          59          791-794
Triterpenoids from Gentiana scabra
Rie Kakuda, Takeyoshi Iijima, Yasunori Yaoita, Koichi Machida, Masao Kikuchi
Structure      13C NMR   ???????

--------------------------------------------------------------------------------

50 .     compound 4b
    ?????:66.6%
Journal of Natural Products          2002          65          1838-1842
New Scalarane Class Sesterterpenes from an Indonesian Sponge, Phyllospongia sp.
Michael C. Roy, Junichi Tanaka,Nicole de Voogd, and Tatsuo Higa
Structure      13C NMR   ???????
2楼2012-06-11 12:28:30
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

yjl2007

金虫 (正式写手)

引用回帖:
2楼: Originally posted by kaola0916 at 2012-06-11 12:28:30
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
15.9, 16.0, 17.2, 18.9, 20.7, 20.9, 21.5, 21.8, 22 ...

您好!可以帮忙查一下下面这个化合物的微谱数据结构吗?
http://muchong.com/bbs/viewthread.php?tid=5159104
老板催着要结构,实在没办法,谢谢啊!
3楼2012-11-09 10:33:54
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