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

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77
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7 .     3-O-[β-D-glucopyranosyl (1→3)-α-L-rhamnopyranosyl (1→4)-β-D-xylopyranosyl] hederagenin
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8 .     compound 2
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Canadian Journal of Chemistry          1990          68          1238-1250
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Grigory M. Lipkind, Nikolay E. Nifant'ev, Alexander S. Shashkov, Nikolay K. Kochetkov
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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
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88

1 .     ferulaldehyde
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2 .     Coniferaldehyde
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Korean Journal of Pharmacognosy          2009          40(4)          326-333
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5 .     coniferyl aldehyde
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尼赫
3楼2015-03-28 12:27:44
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seuseasoar

至尊木虫 (知名作家)

【答案】应助回帖

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感谢参与,应助指数 +1
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
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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%
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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
尼赫
2楼2015-03-28 12:19:52
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