Chem
J-GLOBAL ID：200907043682856158   Nikkaji number：J1.672.539K

Hymenoside O

ヒメノシドO
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： C20H26O11
Molecular formula furigana： C20-H26-O11
Molecular weight： 442.417
InChI： InChI=1S/C20H26O11/c21-6-5-12(8-22)10-29-20-18(28)17(27)19(15(9-23)30-20)31-16(26)4-2-11-1-3-13(24)14(25)7-11/h1-5,7,15,17-25,27-28H,6,8-10H2/b4-2?,12-5+/t15-,17+,18-,19-,20-/m1/s1
InChI key： UGOURROVDJZLOI-HFOFETNGSA-N
SMILES： OC/C=C(\CO)/CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O-[(E)-2-(ヒドロキシメチル)-4-ヒドロキシ-2-ブテニル]-β-D-アロピラノース4-[3-(3,4-ジヒドロキシフェニル)アクリラート]
  • (2R,3S,4S,5R,6R)-4,5-ジヒドロキシ-6-{[(2E)-4-ヒドロキシ-2-(ヒドロキシメチル)ブタ-2-エン-1-イル]オキシ}-2-(ヒドロキシメチル)オキサン-3-イル 3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2E)-4-hydroxy-2-(hydroxymethyl)but-2-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 1-O-[(E)-2-(Hydroxymethyl)-4-hydroxy-2-butenyl]-β-D-allopyranose 4-[3-(3,4-dihydroxyphenyl)acrylate]
  • ヒメノシドO
  • Hymenoside O
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