Chem
J-GLOBAL ID:200907017784802752   Nikkaji number:J2.453.311E

2-[[4-(β-D-Glucopyranosyloxy)-3-hydroxycinnamoyl]oxy]-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]propanoic acid

2-[[4-(β-D-グルコピラノシルオキシ)-3-ヒドロキシシンナモイル]オキシ]-3-[4-(β-D-グルコピラノシルオキシ)-3-ヒドロキシフェニル]プロパン酸
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: C30H36O18
Molecular formula furigana: C30-H36-O18
Molecular weight: 684.600
InChI: InChI=1S/C30H36O18/c31-10-19-22(36)24(38)26(40)29(47-19)45-16-4-1-12(7-14(16)33)3-6-21(35)44-18(28(42)43)9-13-2-5-17(15(34)8-13)46-30-27(41)25(39)23(37)20(11-32)48-30/h1-8,18-20,22-27,29-34,36-41H,9-11H2,(H,42,43)/b6-3+/t18?,19-,20-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1
InChI key: ZFVPSEAVZVYYEB-JRPZUASGSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(CC(OC(=O)/C=C/c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)C(=O)O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 2-[[4-(β-D-グルコピラノシルオキシ)-3-ヒドロキシシンナモイル]オキシ]-3-[4-(β-D-グルコピラノシルオキシ)-3-ヒドロキシフェニル]プロパン酸
  • 3-(3-ヒドロキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)-2-{[(2E)-3-(3-ヒドロキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)プロパ-2-エノイル]オキシ}プロパン酸
  • 3-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-{[(2E)-3-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid
Other name (1):
  • 2-[[4-(β-D-Glucopyranosyloxy)-3-hydroxycinnamoyl]oxy]-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]propanoic acid
Thsaurus map:

Return to Previous Page