Chem
J-GLOBAL ID：200907031775458855   Nikkaji number：J2.080.026G

Isorobustaside A

イソロブスタシドA
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： C21H22O9
Molecular formula furigana： C21-H22-O9
Molecular weight： 418.398
InChI： InChI=1S/C21H22O9/c22-13-4-1-12(2-5-13)3-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-8-6-14(23)7-9-15/h1-10,16,18-23,25-27H,11H2/b10-3-/t16-,18-,19+,20-,21-/m1/s1
InChI key： DTBYJDROKVCOQC-XCWOQVFSSA-N
SMILES： O[C@@H]1[C@@H](COC(=O)/C=C\c2ccc(O)cc2)O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-ヒドロキシフェニル6-O-(4-ヒドロキシ-cis-シンナモイル)-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(4-ヒドロキシフェノキシ)オキサン-2-イル]メチル (2Z)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-(4-hydroxy-cis-cinnamoyl)-β-D-glucopyranoside
  • イソロブスタシドA
  • Isorobustaside A
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