Chem
J-GLOBAL ID：200907033706277515   Nikkaji number：J1.414.245B

Hymenoside C

ヒメノシド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： C27H32O12
Molecular formula furigana： C27-H32-O12
Molecular weight： 548.541
InChI： InChI=1S/C27H32O12/c1-15(8-9-28)14-36-27-26(39-23(34)12-17-4-7-19(31)20(32)10-17)25(24(35)21(13-29)37-27)38-22(33)11-16-2-5-18(30)6-3-16/h2-8,10,21,24-32,35H,9,11-14H2,1H3/b15-8+/t21-,24-,25+,26-,27-/m1/s1
InChI key： VGOWCHBFIVLGCU-CGSNJBTMSA-N
SMILES： C/C(=C\CO)/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H]1OC(=O)Cc1ccc(O)c(O)c1
Systematic name  (3)：
  • 1-O-[(E)-2-メチル-4-ヒドロキシ-2-ブテニル]-β-D-グルコピラノース2-(3,4-ジヒドロキシフェニルアセタート)3-(4-ヒドロキシフェニルアセタート)
  • (2R,3R,4S,5R,6R)-3-{[2-(3,4-ジヒドロキシフェニル)アセチル]オキシ}-5-ヒドロキシ-2-{[(2E)-4-ヒドロキシ-2-メチルブタ-2-エン-1-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル 2-(4-ヒドロキシフェニル)アセタート
  • (2R,3R,4S,5R,6R)-3-{[2-(3,4-dihydroxyphenyl)acetyl]oxy}-5-hydroxy-2-{[(2E)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl 2-(4-hydroxyphenyl)acetate
Other name (3)：
  • 1-O-[(E)-2-Methyl-4-hydroxy-2-butenyl]-β-D-glucopyranose 2-(3,4-dihydroxyphenylacetate)3-(4-hydroxyphenylacetate)
  • ヒメノシドC
  • Hymenoside C
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