Chem
J-GLOBAL ID：200907029513469100   Nikkaji number：J1.414.244D

Hymenoside B

ヒメノシドB
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： C27H32O13
Molecular formula furigana： C27-H32-O13
Molecular weight： 564.540
InChI： InChI=1S/C27H32O13/c1-14(6-7-28)13-37-27-26(40-23(35)11-16-3-5-18(31)20(33)9-16)25(24(36)21(12-29)38-27)39-22(34)10-15-2-4-17(30)19(32)8-15/h2-6,8-9,21,24-33,36H,7,10-13H2,1H3/b14-6+/t21-,24-,25+,26-,27-/m1/s1
InChI key： ADDKDISNWQJHTB-QZWKLUJDSA-N
SMILES： C/C(=C\CO)/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[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-ビス(3,4-ジ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-(3,4-ジ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-(3,4-dihydroxyphenyl)acetate
Other name (3)：
  • 1-O-[(E)-2-Methyl-4-hydroxy-2-butenyl]-β-D-glucopyranose 2,3-bis(3,4-dihydroxyphenylacetate)
  • ヒメノシドB
  • Hymenoside B
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