Chem
J-GLOBAL ID：200907084891743210   Nikkaji number：J1.616.665K

Hymenoside I

ヒメノシドI
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： C28H32O12
Molecular formula furigana： C28-H32-O12
Molecular weight： 560.552
InChI： InChI=1S/C28H32O12/c1-15-10-20(13-24(34)36-15)37-28-27(40-23(33)12-17-4-8-19(31)9-5-17)26(25(35)21(14-29)38-28)39-22(32)11-16-2-6-18(30)7-3-16/h2-9,15,20-21,25-31,35H,10-14H2,1H3/t15-,20-,21-,25-,26+,27-,28-/m1/s1
InChI key： FRWQMDSUBBWLRW-DOASFHBLSA-N
SMILES： C[C@@H]1C[C@H](CC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccc(O)cc2)[C@H]1OC(=O)Cc1ccc(O)cc1
Systematic name  (3)：
  • 1-O-[(4R)-2-オキソ-6β-メチルテトラヒドロ-2H-ピラン-4α-イル]-β-D-グルコピラノース2,3-ビス(4-ヒドロキシフェニルアセタート)
  • (2R,3R,4S,5R,6R)-3-ヒドロキシ-2-(ヒドロキシメチル)-5-{[2-(4-ヒドロキシフェニル)アセチル]オキシ}-6-{[(2R,4R)-2-メチル-6-オキソオキサン-4-イル]オキシ}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-hydroxy-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-{[(2R,4R)-2-methyl-6-oxooxan-4-yl]oxy}oxan-4-yl 2-(4-hydroxyphenyl)acetate
Other name (3)：
  • 1-O-[(4R)-2-Oxo-6β-methyltetrahydro-2H-pyran-4α-yl]-β-D-glucopyranose 2,3-bis(4-hydroxyphenylacetate)
  • ヒメノシドI
  • Hymenoside I
CAS registry number： 394212-43-2
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