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ly_tryh

铁杆木虫 (著名写手)

[求助] 解谱求助(只有碳谱),谢谢了。 已有2人参与

像是不饱和脂肪酸甘油酯,但是查文献和常见的哪几种(油酸、亚油酸、棕榈酸等)数据对不上,感觉像是有杂质(不知道杂质是不是三萜,16.2,16.4,17.9,18.0,18.2,19.3,19.3,21.2,23.3,23.8,26.0,27.8,31.0,31.5,32.1,36.6,37.9,38.0,38.3,40.6,42.1,42.4,45.3,53.3,55.0,60.7等,有的标图上了),但是判断不清那些是有用的。
特别是比较迷惑的116.5的信号。还有就是为什么羰基信号那么低?
没有思路啊,急求各位解谱高手帮忙啊。

解谱求助(只有碳谱),谢谢了。
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金虫 (正式写手)

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ly_tryh: 金币+5, 有帮助, 谢谢,不过想解的是主要物质。 2014-08-11 08:41:33
???????????鵽12010????????(???????????ο?)  
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1 .     3??,13??-Dihydroxy-urs-11-en-28-oic acid
    ?????:85.1%
Journal of Shenyang Pharmaceutical University          2012          29          22-25
Isolation and identification of chemical constituents from whole plant of Polygonum hydropiper L.
HUANG Jian; HOU Peng-yi; WU Li-jun; GAO Hui-yuan
Structure      13C NMR    Structure & 13C NMR     ???????
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2 .     camaldulin
C31H46O4     ?????:80.6%
Journal of Natural Products          2000          63          1265-1268
Spasmolytic Constituents from Eucalyptus camaldulensis var. obtusa Leaves
Sabira Begum,Farhat, Ishrat Sultana, Bina S. Siddiqui, Farhana Shaheen, and Anwar H. Gilani
Structure      13C NMR    Structure & 13C NMR     ???????
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3 .     11,12-dehydroursolic lactone acetate
C32H48O4     ?????:80.6%
Agricultural and Biological Chemistry          1984          48          373-376
Germination Inhibitor from Eucalyptus pulverulenta
Matthew L. BOLTE, Jenny BOWERS, Wilfrid D. CROW, Dugald M. PATON, Akira SAKURAI, Nobutaka TAKAHASHI, Masami UJIIE, Shigeo YOSHIDA
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

4 .     compound 2
    ?????:80%
Acta Pharmaceutica Sinica          1996          31          437-440
STRUCTURE ELUCIDATION OF LIQUIDAMBARIC LACTONE
YR Sun and YF sun
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

5 .     3-hydroxy-11-urs-en-28,13-olide,11,12-dehydroursolic acid lactone
    ?????:76.6%
China Journal of Chinese Materia Medica          2006          31          1434-1436
Studies on triterpenoid from Potentilla chinensis
WANG Qinghe, LI Zhiyong, SHEN Yang, LIN Houwen, SHU Wei, ZHOU Jianbin
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

6 .     3??,13??-dihydroxy-urs-11-en-28-oic acid
C30H48O4     ?????:76.6%
Phytochemistry          1996          42          1665-1666
Two diterpenoids from copaiba oile
Honore Monti, Nicolas Tiliacos, Robert Faur
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

7 .     ursolic acid lactone
    ?????:76.6%
Phytochemistry          1993          33          151-153
Triterpene esters from Eucalyptus tereticornis
Wang Hongcheng, Yasuo Fujimotot
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

8 .     3??-hydroxy-urs-11-en-28,13-lactone
    ?????:76.6%
Chemical & Pharmaceutical Bulletin          2011          59(9)          1180-1182
Biotransformation of Ursolic Acid by an Endophytic Fungus from Medicinal Plant Huperzia serrata
Shao-bin FU, Jun-shan YANG, Jin-long CUI, Xu FENG, and Di-an SUN
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

9 .     ursolic acid lactone
C30H46O3     ?????:76.6%
Chinese Traditional and Herbal Drugs          2009          40          1036-1039
?????????????о?
??????;?θ???;??????
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

10 .     11,12-dehydroursolic acid lactone
C30H46O3     ?????:76.6%
Natural Product Research and Development          2007          19          232-234
Pentacyclic Triterpenes from Eucalyptus globulus Labill.Fruits
TAN Man-liang;WANG Ye; ZHOU Li-gang; JIANG Wei-bo
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

11 .     3??-hydroxy-urs-11-en-28,13??-olide
    ?????:76.6%
Phytochemistry Letters          2011          4          432-435
Insecticidal activity of Tanacetum chiliophyllum (Fisch. & Mey.) var. monocephalum grierson extracts and a new sesquiterpene lactone
Kaan Polatoğlu, Ömer Cem Karakoç, Ayhan Gökçe, Nezhun Gören
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

12 .     3??,13??-dihydroxy-urs-11-en-28-oic acid-13-lactone
C30H46O3     ?????:76.6%
Chinese Journal of Oceanology and Limnology          2009          27          288-296
Chemical constituents of marine medicinal mangrove plant Sonneratia caseolaris
TIAN Minqing, DAI Haofu, LI Xiaoming, WANG Bingui
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

13 .     3??-hydroxyurs-11-en-13??,28-olide
    ?????:76.6%
The Chinese Pharmaceutical Journal          2000          52          69-77
Constituents of the Leaves of Erythrina arborescens
?S???(Keh-Feng Huang), ?????(Ping-Chuan Tseng), ????O(Ling-Ping Wu), ??????(Shiow-Ling Liou)
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

14 .     3??-hydroxy-urs-11-en-28,13??-olide
    ?????:76.6%
Phytochemistry Letters          2011          4          421-425
Ovarian antiproliferative activity directed isolation of triterpenoids from fruits of Eucalyptus camaldulensis Dehnh
G??laçtı Topçu, Gön??l Yapar, Zeynep T??rkmen, Ahmet Ceyhan Gören, Sevil Öks??z, Jennifer K. Schilling, David G.I. Kingston
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

15 .     3??-hydroxy-urs-11-en-13??(28)-olide
C30H46O3     ?????:76.6%
Chinese Traditional and Herbal Drugs          2012          43          444-447
Chemical constituents from leaves of Ilex cornuta
ZHOU Si-xiang; YAO Zhi-rong; LI Jun; TU Peng-fei
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

16 .     3??-hydroxyurs-28,13-olide
    ?????:73.3%
Chemical & Pharmaceutical Bulletin          1983          31          1567-1571
Triterpenoids of the Bark of Pieris japonica D. DON (Japanese Name : Asebi). II. 13C Nuclear Magnetic Resonance of the ??-Lactones of Ursane- and Oleanane-type Triterpenes
MASAAKI KATAI,TADAMASA TERAI and HARUO MEGURI
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

17 .     3??,13??-?????-????-11-?-28-????
    ?????:73.3%
Chinese Traditional and Herbal Drugs          2011          42(4)          661-663
Chemical constituents of Paederia scandens
YU Xiao-yan
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

18 .     11,12-dehydroursolic acid lactone
    ?????:73.3%
Journal of Shenyang Pharmaceutical University          2011          28          260-262
Isolation and identification of chemical constituents of flower of Lomatogonium rotatum (L.) Fries ex Nym(2)
JIA Ling-yun, YUAN Jiu-zhi, SUN Qi-shi
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

19 .     ursolic acid lactone
    ?????:73.3%
Journal of Shenyang Pharmaceutical University          2005          22          81-109
Isolation and identification of the chemical constituents of Verbena officinalis L1
ZI Jia-chen, LI Yu-shan, LIU Xing-guo, Tohru YAMAKUNI, Yasushi OHIZUMI
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

20 .     3-??-hydroxy-urs-11-en-28,13-olide
    ?????:73.3%
Journal of the Chinese Chemical Society          1993          40          87-91
Constituents of Clinopodium umbrosum
??????(Shu-Mei Lee);????(Jeng-Shiow Lai);??????(Yueh-Hsiung Kuo)
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

21 .     ilelatifol D
C30H46O4     ?????:73.3%
Phytotherapy Research          2007          21          558-561
Ursolic acid: a potent Inhibitor of superoxides produced in the cellular system
Muhammad S. Ali, Syed A. Ibrahim, Saima Jalil and Muhammad I. Choudhary
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

22 .     3??-hydroxy-urs-11-en-28,13??-olide
    ?????:73.3%
Chemistry of Natural Compounds          2013          49          381-382
Phytochemical constituents of Comastoma pedunculatum
Li Tang, Xiao-Ming Xu, Ying Liu, Yi-Run Wang, Chun-Lin Long, Jin-Chao Feng
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

23 .     3??-hydroxyurs-11??,12??-epoxy-13??,28-olide
    ?????:73.3%
The Chinese Pharmaceutical Journal          2000          52          69-77
Constituents of the Leaves of Erythrina arborescens
?S???(Keh-Feng Huang), ?????(Ping-Chuan Tseng), ????O(Ling-Ping Wu), ??????(Shiow-Ling Liou)
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

24 .     3??,13??-dihydroxyurs-11-en-28-oic acid
    ?????:73.3%
Molecules          2014          19          9515-9534
Studies on Cytotoxic Constituents from the Leaves of Elaeagnus oldhamii Maxim. in Non-Small Cell Lung Cancer A549 Cells
Chi-Ren Liao, Yueh-Hsiung Kuo, Yu-Ling Ho, Ching-Ying Wang, Chang -Syun Yang, Cheng-Wen Lin and Yuan-Shiun Chang
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

25 .     3??-Hydroxyurs-11-en-13??(28)-olide
    ?????:73.0%
Phytochemical Analysis          2005          16          364-369
Chemical composition of the epicuticular wax from the fruits of Eucalyptus globulus
Susana I. Pereira, Carmen S. R. Freire, Carlos Pascoal Neto, Armando J. D. Silvestre and Artur M. S. Silva
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

26 .     ursolic acid
    ?????:73.0%
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    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

27 .     28-nor-urs-12-ene-3??, 17??-diol
C29H48O2     ?????:72.4%
Phytochemistry          2005          66          627-632
Cladocalol, a pentacyclic 28-nor-triterpene from Eucalyptus cladocalyx with cytotoxic activity
Samira Benyahia, Samir Benayache, Fadila Benayache, Francisco Le??n,Jos?? Quintana, Mat??as L??pez, Juan C. Hern??ndez,Francisco Est??vez, Jaime Bermejo
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

28 .     28-no??-urs-12-ene-3??,17??-diol
C29H48O2     ?????:72.4%
Journal of Natural Products          2006          69          1164-1167
Taraxasterane- and Ursane-Type Triterpenes from Nerium oleander and Their Biological Activities
Ming Zhao, Shujun Zhang, Liwei Fu, Na Li, Jiao Bai, Junichi Sakai, Liyan Wang, Wanxia Tang, Toshiaki Hasegawa, Hirotsugu Ogura, Takao Kataoka, Seiko Oka, Miwa Kiuch, Katutoshi Hirose, and Masayoshi Ando
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

29 .     (3??,18??,20??)-3-acetoxy-N-hydroxy-11-oxo-olean-12-en-29-amide
    ?????:70.9%
Bioorganic & Medicinal Chemistry          2010          18          7522-7541
Synthesis of novel 3-amino and 29-hydroxamic acid derivatives of glycyrrhetinic acid as selective 11??-hydroxysteroid dehydrogenase 2 inhibitors
Christian Stanetty, Laszlo Czollner, Iris Koller, Priti Shah, Rawindra Gaware, Thierry Da Cunha, Alex Odermatt, Ulrich Jordis, Paul Kosma, Dirk Claßen-Houben
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

30 .     uvaol
    ?????:70.3%
Modern Chinese Medicine          2011          13(1)          23-25
Isolation and Identification of Chemical Constituents from RosmarinusOfficinalis L1
WANG Hui, , GAO Hui-yuan, ZHANG Zhen-qiu, WULi-jun
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

31 .     3-acetoxy oleanolic acid
    ?????:70.3%
Journal of Shenyang Pharmaceutical University          2011          28          417-419
Isolation and identification of chemical constituents from stems of Stauntonia brachyanthera Hand. - Mazz.
CHEN Chao, LI Zhen-xing, MENG Da-li, LI Ning, LI Xian
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

32 .     phyllolactone E
C27H42O4     ?????:70.3%
Tetrahedron          2001          57          5731-5738
Phyllolactones A-E: new bishomoscalarane sesterterpenes from the marine sponge Phyllospongia lamellosa
Leng Chee Chang, Sarah Otero-Quintero, Gillian M Nicholas, Carole A Bewley
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

33 .     3-epi-corosolic acid lactone
C30H46O4     ?????:70%
Journal of Natural Products          2003          66          1051-1054
Ursane- and Oleanane-Type Triterpenes from Ternstroemia gymnanthera Callus Tissues
Akira Ikuta,Hiroaki Tomiyasu,Yasumasa Morita,and Kouichi Yoshimura
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

34 .     ardipusilloside I
C53H36O22     ?????:70%
Acta Pharmaceutica Sinica          1993          28          673-678
STUDIES ON THE SAPONIN CONSTITUENTS OF JIU JIELONG (ARDISIA PUSILLA)
QH Zhang; XJ Wang; ZC Miao and R Feng
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

35 .     3??-hydroxy-11??,12??-epoxy-urs-13??,28-olide
C30H46O4     ?????:70%
Journal of Natural Products          1993          Vol 56          613
Constituents of the Leaves of Thevetia neriifolia
Sabira Begum, Qayyum Adil, Bina S. Siddiqui, Salimuzzaman Siddiqui
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

36 .     3-keto-13(28)-epoxy-ursan-11-ene
C30H46O2     ?????:70%
Phytochemistry          1990          29          1691-1693
Terpenoids from Salvia mellifera
Antonio G. Gonz??lez,Lucia S. Andres,Angel G. Ravelo,Javier G. Luis,Isabel L. Bazzocchi,Jan West
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

37 .     2??,3??-dihydroxy-11??,12??-epoxy-urs-28,13??-olide
C30H46O5     ?????:70%
Journal of Asian Natural Products Research          2013          15          962-968
Three new ursane-type triterpenoids from the aerial parts of Isodon excisoides
Ke Jiao, Huo-Yun Li, Peng Zhang, Hui-Fang Pi, Han-Li Ruan & Ji-Zhou Wu
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

38 .     ferna-9(11)-en-19a-ol
    ?????:70%
Natural Medicines          1998          52          409-413
Pharmacognostical Studies on "Ku-tui-po" III. : Constituents of the Rhizomes of Davallia solida
Tanaka Yasuko,Kitajima Jun-ichi,Ageta Hiroyuki
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

39 .     ilelatifol D
    ?????:70%
Natural Medicines          2000          54          297-305
Acyl-CoA : Cholesterol Acyltransferase(ACAT) Inhibitors from Ilex spp.
Nishimura Keiichi,Miyase Toshio,Noguchi Hiroshi,Chen Xin-Min
Structure      13C NMR    Structure & 13C NMR     ???????
--------------------------------------------------------------------------------

40 .     13??-???-11-?-?????
    ?????:70%
Natural Product Research and Development          2013          25          345-348
Studies on the Chemical Constituents from Sambucus adnata Wall
WU Hai-bo, ZHAO Yi-ning, LI Dong-mei, LV Xiang-wen, WANG Wen-shu
Structure      13C NMR    Structure & 13C NMR     ???????
小样儿
2楼2014-08-08 21:29:48
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ly_tryh

铁杆木虫 (著名写手)

各位解谱高手,有没有见过116.5的信号,会是什么信号呢?如果是端基的双键,14左右的信号又存在,难道有支链?常见的那些不饱和脂肪酸的双键都在128~130左右。
这种脂肪酸再作氢谱有什么用处吗?还不纯。
3楼2014-08-13 12:24:51
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知識無價

铁杆木虫 (著名写手)


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ly_tryh: 金币+5, ★★★很有帮助, 谢谢,我去找找去。可能因为有杂质,我就陷入了脂肪酸酯的圈子里出不来了。 2014-08-15 15:29:38
末端双键的长链二醇

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4楼2014-08-14 17:29:14
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