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雷焕

银虫 (小有名气)

[求助] 可能是什么物质? 已有1人参与

由于接触波谱较少,解谱迷茫,先求助各大神能给予帮助,这些可能是哪些物质?非常感谢
4号
13C NMR (101 MHz, MeOD) δ 170.89 (s, 7H), 153.34 (s, 14H), 144.41 (s, 9H), 128.43 (s, 15H), 112.50 (s, 8H), 105.09 (s, 1H), 100.96 (s, 3H), 100.12 (s, 16H), 98.16 (s, 15H), 78.02 (s, 13H), 77.99 – 77.35 (m, 22H), 75.09 – 74.42 (m, 20H), 73.25 (s, 6H), 71.67 – 71.08 (m, 20H), 62.46 (d, J = 8.7 Hz, 21H), 61.27 (s, 16H), 57.33 (s, 1H), 55.49 (s, 3H), 49.87 (s, 1H), 49.74 (d, J = 20.6 Hz, 12H), 49.32 (d, J = 21.5 Hz, 43H), 49.03 (s, 7H), 49.03 (s, 19H), 49.07 – 48.52 (m, 94H), 48.57 (s, 14H), 48.47 (d, J = 21.5 Hz, 23H), 46.78 (s, 16H), 39.52 (s, 15H), 36.37 (s, 15H).

5号
13C NMR (101 MHz, MeOD) δ 150.78 (s, 2H), 148.91 (d, J = 26.6 Hz, 3H), 147.32 (t, J = 13.6 Hz, 3H), 137.35 (d, J = 9.5 Hz, 2H), 133.67 (s, 2H), 131.26 (s, 1H), 120.46 – 119.60 (m, 6H), 119.35 (s, 1H), 117.83 (s, 3H), 116.09 (s, 5H), 111.54 (d, J = 5.9 Hz, 3H), 110.97 (s, 3H), 110.53 (s, 1H), 102.68 (s, 3H), 88.92 (s, 1H), 87.36 (s, 3H), 86.98 (s, 2H), 83.43 (s, 1H), 78.04 (s, 4H), 77.69 (s, 5H), 74.80 (s, 5H), 72.60 (d, J = 4.8 Hz, 6H), 71.97 (s, 2H), 71.23 (s, 4H), 70.64 (s, 2H), 62.42 (s, 4H), 56.74 (s, 5H), 56.44 (s, 7H), 55.58 (s, 2H), 55.27 (d, J = 17.6 Hz, 5H), 51.12 (s, 1H), 49.64 (s, 5H), 49.47 (s, 2H), 49.32 (d, J = 21.5 Hz, 41H), 49.00 (s, 32H), 48.83 (s, 4H), 48.68 (d, J = 21.4 Hz, 38H), 48.36 (s, 5H).

6号
13C NMR (101 MHz, MeOD) δ 78.04 (s, 2H), 77.72 (s, 2H), 77.39 (s, 2H), 48.59 (s, 1H), 48.37 (s, 3H), 48.16 (s, 5H), 47.95 (s, 6H), 47.74 (s, 5H), 47.52 (s, 3H), 47.31 (s, 1H).

7号
13C NMR (101 MHz, MeOD) δ 105.51 (s, 1H), 104.56 (s, 2H), 101.22 (s, 3H), 99.68 (d, J = 5.4 Hz, 3H), 77.86 (s, 8H), 76.10 (s, 2H), 75.00 (s, 10H), 73.39 (d, J = 16.8 Hz, 14H), 71.80 (s, 5H), 71.46 (s, 9H), 69.79 (s, 1H), 67.28 (s, 2H), 62.40 (s, 10H), 57.63 (d, J = 9.2 Hz, 1H), 55.80 (s, 2H), 49.53 (d, J = 21.4 Hz, 15H), 49.42 – 49.40 (m, 4H), 49.12 (d, J = 17.4 Hz, 40H), 49.04 (s, 4H), 48.89 (d, J = 21.5 Hz, 63H), 48.61 (s, 3H), 48.47 (d, J = 21.4 Hz, 18H).

8号
13C NMR (101 MHz, MeOD) δ 196.26 (s, 1H), 156.30 (s, 1H), 126.69 (s, 1H), 125.16 (s, 2H), 116.66 (s, 2H), 112.18 (s, 1H), 56.50 (s, 1H), 49.64 (s, 9H), 49.42 (s, 31H), 49.21 (s, 32H), 49.00 (s, 51H), 48.79 (s, 33H), 48.57 (s, 18H), 48.36 (s, 7H).

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雷焕: 金币+20, ★★★很有帮助, 非常感谢! 2015-03-28 16:41:50
44

1 .     genameside C
C23H34O15     相似度:57.1%
Chemical & Pharmaceutical Bulletin          2005          53(10)          1342-1344
Iridoid Glucosides from the Fruit of Genipa americana
Masateru ONO,Masami UENO,Chikako MASUOKA,Tsuyoshi IKEDA,and Toshihiro NOHARA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     10,6'-di-O-(1-methoxy-1-methylethyl)-geniposide
C25H40O12     相似度:57.1%
Journal of Natural Products          1999          62          1646-1654
Stereoselective Hydrogenation and Ozonolysis of Iridoids. Conversion into Carbocyclic Nucleoside Analogues
Henrik Franzyk, and Frank R. Stermitz
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     Genipin 1-O-β-D-isomaltoside
C23H34O15     相似度:57.1%
Phytochemistry          2009          70          779-784
Iridoid glycosides from Gardeniae Fructus for treatment of ankle sprain
Quan Cheng Chen, Wei Yun Zhang, UiJoung Youn, HongJin Kim, IkSoo Lee, Hyun-Ju Jung, MinKyun Na, Byung-Sun Min, KiHwan Bae
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     genipin-gentiobioside
    相似度:57.1%
Journal of Chinese Medicinal Materials          2012          35          1950-1952
Study on the Chemical Constituents of Fructus Gardeniae
HUANG Tao, MU Shu-zhen, HAO Xiao-jiang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     genipin-gentiobioside
    相似度:57.1%
Chinese Traditional and Herbal Drugs          2014          45          16-22
Chemical constituents from root tubers of Rehmannia glutinosa
LIU Yan-fei, LIANG Dong, LUO Huan, HAO Zhi-you, WANG Yan, ZHANG Chun-lei, CHEN Ruo-yun, YU De-quan
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     genameside C
    相似度:57.1%
Chinese Traditional and Herbal Drugs          2014          45          16-22
Chemical constituents from root tubers of Rehmannia glutinosa
LIU Yan-fei, LIANG Dong, LUO Huan, HAO Zhi-you, WANG Yan, ZHANG Chun-lei, CHEN Ruo-yun, YU De-quan
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     6''-O-trans-Sinapoylgenipin gentiobioside
C34H44O19     相似度:57.1%
Chemical & Pharmaceutical Bulletin          2011          59          803-833
Naturally Occurring Iridoids and Secoiridoids. An Updated Review, Part 4
Biswanath DINDA, Sudhan DEBNATH, and Rajarshi BANIK
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     scyphiphorins B
C26H38O12     相似度:53.5%
Helvetica Chimica Acta          2007          Vol. 90          1718
Scyphiphorins A and B, Two New Iridoid Glycosides from the Stem Bark of a Chinese Mangrove Scyphiphora hydrophyllacea
Shu-Hong Tao, Jun Wu, Shu-Hua Qi, Si Zhang, Min-Yi Li, and Qing-Xin Li
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
55

1 .     Mananthoside K
C36H44O15     相似度:57.8%
Journal of Asian Natural Products Research          2008          10          228-232
Three new lignan glycosides from Mananthes patentiflora
Jun-Mian Tian, Hong-Ping He, Ying-Tong Di, Xian-Wen Yang, Zhu-Lin Gao and Xiao-Jiang Hao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     zanthpodocarpin E
C41H40O15     相似度:56.0%
Bioorganic & Medicinal Chemistry Letters          2014          24          4667-4671
Characterization and biological evaluation of six new dimeric lignans with an unusual α,β-unsaturated ketone motif from Zanthoxylum simulans
Jun-Feng Wang, Yi-Hui Deng, Sheng-Hui Yang, Yan-Qun Liu, Yue-Hu Wang, Wei-Wei Pan, Xiao-Jiang Zhou
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     pinoresinol O-[6-O-(E)-caffeoyl]-β-D-glucopyranoside
C35H38O14     相似度:55.2%
Chemical & Pharmaceutical Bulletin          2002          50(5)          583-589
Studies on the Constituents from the Aerial Part of Baccharis dracunculifolia DC. II
Yoshimi NAGATANI, Tsutomu WARASHINA, and Tadataka NORO
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     (+)-pinoresinol 4'-O-β-D-glucopyranosyl(1→2)-O-[β-D-glucopyranosyl(1→6)]-β-D-glucopyranoside
    相似度:55.2%
Heterocycles          1993          36          933-936
Structure of Novel Antioxidative Lignan Triglucoside Isolated from Sesame Seed
Hirotaka Katsuzaki, Shunro Kawakishi, and Toshihiko Osawa
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     samsesquinoside
C37H46O16     相似度:55.2%
Fitoterapia          2014          94          29-35
New lignans from the bioactive fraction of Sambucus williamsii Hance and proliferation activities on osteoblastic-like UMR106 cells
Hui-hui Xiao, Yi Dai, Man-sau Wong, Xin-sheng Yao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     compound 1
C36H40O14     相似度:55.2%
Journal of Agricultural and Food Chemistry          2007          55          6460-6465
Inhibitory Activity against Tobacco Mosaic Virus (TMV) Replication of Pinoresinol and Syringaresinol Lignans and Their Glycosides from the Root of Rhus javanica var. roxburghiana
Ming-An Ouyang, Yung-Shung Wein, Zhen-Kun Zhang, and Yueh-Hsiung Kuo
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     dracunculifoside R
C36H44O15     相似度:52.6%
Chemical & Pharmaceutical Bulletin          2002          50(5)          583-589
Studies on the Constituents from the Aerial Part of Baccharis dracunculifolia DC. II
Yoshimi NAGATANI, Tsutomu WARASHINA, and Tadataka NORO
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     incanoside D
C37H50O20     相似度:52.6%
Chemical & Pharmaceutical Bulletin          2000          48(7)          1075-1078
Three New Phenylethanoid Glycosides from Caryopteris incana and Their Antioxidative Activity
JianJun GAO,Kiharu IGARASHI,and Manabu NUKINA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     chionoside B
C36H48O20     相似度:52.6%
Chemical & Pharmaceutical Bulletin          2010          58          703-711
Phenylethanoid and Iridoid Glycosides in the New Zealand Snow Hebes (Veronica, Plantaginaceae)
Rilka M. Taskova, Tetsuo Kokubun, Ken G. Ryan, Phil John Garnock-Jones and Soren Rosendal Jensen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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2楼2015-03-28 12:19:52
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seuseasoar

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雷焕: 金币+30, ★★★很有帮助, 非常感谢! 2015-03-28 16:42:08
66

1 .     compound 5
C6H13N2O2PS     相似度:50%
Tetrahedron Letters          2000          41          3073-3076
Alkylthiylation of triquinphosphoranes by disulfides: an entry to chiral thiatriquinphosphoranes
Caroline Marchi, Gérard Buono
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     (3R,4S,5R)-5-amino-1-(tert-butoxycarbonyl)-3,4-dihydroxypiperidine
C10H20O4N2     相似度:50%
European Journal of Organic Chemistry          2011                   2230-2234
Concise Route to (–)- and (+)-Aphanorphine
Mohamed Medjahdi, José C. González-Gómez, Francisco Foubelo and Miguel Yus
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     compound 39
    相似度:50%
European Journal of Organic Chemistry          2010                   5263-5273
An Anomeric Effect Drives the Regiospecific Ring-Opening of 1,3-Oxazolidines under Acetylating Conditions
R. Fernando Martínez, Martín ávalos, Reyes Babiano, Pedro Cintas, José L. Jiménez, Mark E. Light, Juan C. Palacios and Esther M. S. Pérez
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

77
1 .     compound 5
    相似度:59.0%
Magnetic Resonance in Chemistry          1993          31          599-605
1H and 13C NMR data for 2-O-, 3-O-and 2,3-di-O-glycosylated methyl α-and β-D-galactopyranosides
Alexander S. Shashkov, Nikolay E. Nifant'ev, Vera Yu. Amochaeva and Nikolay K. Kochetkov
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     2,6-dimethoxy-4[(1E)-prop-1-enyl]phenyl O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside
C23H34O12     相似度:54.5%
Helvetica Chimica Acta          2006          Vol. 89          884
Study on the Chemical Constituents of Daphniphyllum angustifolium
Haiyun Bai and Lihong Hu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     rhyncoside D
C21H32O13     相似度:54.5%
Chemical & Pharmaceutical Bulletin          2007          55(8)          1175-1180
Rhyncosides A—F, Phenolic Constituents from the Chinese Mangrove Plant Bruguiera sexangula var. rhynchopetala
Shuyun BAO,Yi DING,Zhiwei DENG,Peter PROKSCH,d an Wenhan LIN
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     methyl gentiobioside
    相似度:54.5%
Chemical & Pharmaceutical Bulletin          1989          37          2727-2730
Two New Triterpenoid Glycosides from the Leaves of Schefflera octophylla
Junichi KITAJIMA and Yasuko TANAKA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     6'-O-β-D-Glucopyranosyltheviridoside
C23H34O16     相似度:54.5%
Phytochemistry          1995          38          793-794
Minor iridoids from Thevetia peruviana
Fumiko Abe, Tatsuo Yamauchi, Shoji Yahara, Toshihiro Nohara
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     5-O-Allosylantirrinoside
    相似度:54.5%
Phytochemistry          1993          32          1068-1070
5-O-Allosylantirrinoside from Linaria species
Emilia Ilieva, Nedjalka Handjieva, Stefan Spassov, Simeon Popov
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     3-O-[β-D-glucopyranosyl (1→3)-α-L-rhamnopyranosyl (1→4)-β-D-xylopyranosyl] hederagenin
    相似度:54.5%
Turkish Journal of Chemistry          2002          26          947-954
New Triterpenic Saponins from Cephalaria transsylvanica
SüHEYLA KIRMIZIGüL, HüSEYİN ANIL
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     compound 2
    相似度:54.5%
Canadian Journal of Chemistry          1990          68          1238-1250
NMR and conformational study of branched oligosaccharides containing 2,3-disubstituted residues of α-L-rhamnose
Grigory M. Lipkind, Nikolay E. Nifant'ev, Alexander S. Shashkov, Nikolay K. Kochetkov
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     8-methoxycarbonyloctyl O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1→2)-O-(3,4-di-O-benzyl-α-L-rhamnopyranosyl)-(1→2)-3,4-di-O-benzyl-α-L-rhamnopyranoside
C58H77NO16     相似度:54.5%
Canadian Journal of Chemistry          1979          57          3073-3079
Artificial carbohydrate antigens: the synthesis of the tetrasaccharide repeating unit of Shigella flexneri O antigen
Staffan Josephson, David R. Bundle
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
88

1 .     ferulaldehyde
C10H10O3     相似度:50%
Chemistry of Natural Compounds          2009          45          234-236
MONO-AROMATIC CONSTITUENTSOF Dendrobium longicornu
Jiang-Tao Li, Ben-Lin Yin, Ying Liu, Li-Qin Wang, and Ye-Gao Chen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     Coniferaldehyde
    相似度:50%
Korean Journal of Pharmacognosy          2009          40(4)          326-333
Phytochemical Studies on Lonicera Caulis (2) - Aliphatic and Phenolic Compounds
Kim, Ju-Sun; Yean, Min-Hye; Seo, Hyun-Kyu; Lee, Je-Hyun; Kang, Sam-Sik
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     acetovanillone
    相似度:50%
Chinese Traditional and Herbal Drugs          2005          36          1604-1607
Effect of phenolic acids isolated from Sambucus williamsii on proliferation and differentiation of rat osteoblastic UMR106 cells
YANG Xu-juan; WONG Man-sau; WANG Nai-li; CHAN Sun-chi; YAO Xin-sheng
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     coniferyl aldehyde
    相似度:50%
Chinese Traditional and Herbal Drugs          2011          42          437-439
Chemical constituents of Opuntia milpa (I)
LUO Chuan, ZHANG Wan-nian
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     coniferyl aldehyde
C11H11O3     相似度:50%
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Chemical Constituents from the Fruits of Capparis masaikai
LIAO Jin-hua, HU Xu-jia*, YUAN Chun-mao, HE Hong-ping, DI Ying-tong
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     4-Phenylphenol
    相似度:50%
Molecules          2012          17          12121-12139
Suzuki-Miyaura Reactions Catalyzed by C2-Symmetric Pd-Multi-Dentate N-Heterocyclic Carbene Complexes
Lan Jiang, Fengjun Shan, Zhengning Li and Defeng Zhao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     coniferyl aldehyde
    相似度:50%
Chinese Traditional and Herbal Drugs          2012          43          2346-2350
Chemical constituents from fruits of Vitex negundo
ZHAO Xiang-xiang; ZHENG Cheng-jian; QIN Lu-ping
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8 .     2-羟基-5-甲氧基-苯丙烯醛
    相似度:50%
China Journal of Chinese Materia Medica          2012          37          2092-2099
Non-anthraquinones constituents from the roots of Knoxia valerianoides
ZHAO Feng; WANG Sujuan; WU Xiuli; YU Yang; YUE Zhenggang; LIU Bo; LIN Sheng; ZHU Chenggen; YANG Yongchun; SHI Jiangong
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9 .     coniferaldehyde
    相似度:50%
Journal of the Korean Society for Applied Biological Chemistry          2012          55          433-437
Cytotoxic Compounds from the Fruits of Vitex rotundifolia against Human Cancer Cell Lines
Haejin Kim, Jin-Mu Yi, No Soo Kim, You Jin Lee, Jinhee Kim, Dal-Seok Oh, Se-Mi Oh, Ok-Sun Bang, Jun Lee
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10 .     aldehyde
    相似度:50%
Chinese Traditional and Herbal Drugs          2014          45          1373-1377
Chemical constituents from Gnaphlium affine
LI Sheng-hua
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
尼赫
3楼2015-03-28 12:27:44
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[考研] 085602调剂 初试总分335 +10 19123253302 2026-04-05 10/500 2026-04-07 15:23 by 小乔同学ya
[考研] 求调剂 +4 电气小神童 2026-04-04 6/300 2026-04-07 00:14 by guanxin1001
[考研] 材料与化工363求推荐 +11 zh096 2026-04-04 11/550 2026-04-06 19:14 by guanxin1001
[考研] 材料调剂 +5 小刘同学吖吖 2026-04-06 5/250 2026-04-06 18:34 by sherry_1901
[考研] 326求调剂 +3 顾若浮生 2026-04-05 3/150 2026-04-05 18:32 by 蓝云思雨
[考研] 344材料与化工调剂 +9 调剂上岸玘 2026-04-03 9/450 2026-04-04 23:10 by happyddm
[考研] 387求调剂 +4 爱吃片豆土 2026-04-03 5/250 2026-04-04 08:10 by 岸上的一条鱼
[考研] 考研调剂 +3 15615482637 2026-04-03 3/150 2026-04-03 22:50 by ms629
[考研] 322求调剂 +6 FZAC123 2026-04-03 6/300 2026-04-03 22:23 by 科研小专家
[考研] 315求调剂 +6 顺理成张 2026-04-03 8/400 2026-04-03 14:04 by 百灵童888
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