Chem
J-GLOBAL ID：200907078143197769   Nikkaji number：J451.915I

Cistanoside C

シスタノシドC
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H38O15
Molecular formula furigana： C30-H38-O15
Molecular weight： 638.619
InChI： InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-18(33)20(12-16)40-2)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)19(34)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChI key： SUNMCVVGOLDIKD-CPPDSBOHSA-N
SMILES： COc1cc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)ccc1O
Systematic name  (3)：
  • 2-(3-メトキシ-4-ヒドロキシフェニル)エチル3-O-(α-L-ラムノピラノシル)-4-O-[(E)-3-(3,4-ジヒドロキシフェニル)アクリロイル]-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-5-ヒドロキシ-6-[2-(4-ヒドロキシ-3-メトキシフェニル)エトキシ]-2-(ヒドロキシメチル)-4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • シスタノシドC
  • Cistanoside C
  • 2-(3-Methoxy-4-hydroxyphenyl)ethyl 3-O-(α-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-β-D-glucopyranoside
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