Chem
J-GLOBAL ID：200907024456845459   Nikkaji number：J1.287.431F

Robutaside C

ロブスタシド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： C27H32O15
Molecular formula furigana： C27-H32-O15
Molecular weight： 596.538
InChI： InChI=1S/C27H32O15/c28-10-17-20(32)22(34)25(37)27(41-17)40-16-7-1-12(9-15(16)30)2-8-19(31)38-11-18-21(33)23(35)24(36)26(42-18)39-14-5-3-13(29)4-6-14/h1-9,17-18,20-30,32-37H,10-11H2/b8-2+/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChI key： LVNKDWCWDJNUNM-XIFJHSAQSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)OC[C@H]3O[C@@H](Oc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]3O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 4-[[6-O-[3-ヒドロキシ-4-(β-D-グルコピラノシルオキシ)-trans-シンナモイル]-β-D-グルコピラノシル]オキシ]フェノール
  • [(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 (2E)-3-(3-ヒドロキシ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}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 (2E)-3-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate
Other name (3)：
  • 4-[[6-O-[3-Hydroxy-4-(β-D-glucopyranosyloxy)-trans-cinnamoyl]-β-D-glucopyranosyl]oxy]phenol
  • ロブスタシドC
  • Robutaside C
Thsaurus map：
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