Chem
J-GLOBAL ID：200907001092414970   Nikkaji number：J1.055.649J

Seguinoside C

セグイノシド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： C24H28O12
Molecular formula furigana： C24-H28-O12
Molecular weight： 508.476
InChI： InChI=1S/C24H28O12/c25-14-6-8-15(9-7-14)35-22-19(28)18(27)17(26)16(36-22)10-32-23-20(29)24(31,12-34-23)11-33-21(30)13-4-2-1-3-5-13/h1-9,16-20,22-23,25-29,31H,10-12H2/t16-,17-,18+,19-,20+,22-,23-,24-/m1/s1
InChI key： GMVLVLZTOFKACO-HVZVMQSSSA-N
SMILES： O[C@H]1[C@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@]1(O)COC(=O)c1ccccc1
Systematic name  (3)：
  • 4-ヒドロキシフェニル6-O-(5-O-ベンゾイル-D-アピオ-β-D-フラノシル)-β-D-グルコピラノシド
  • [(3S,4R,5R)-3,4-ジヒドロキシ-5-{[(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]メトキシ}オキソラン-3-イル]メチル ベンゾアート
  • [(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl benzoate
Other name (3)：
  • 4-Hydroxyphenyl 6-O-(5-O-benzoyl-D-apio-β-D-furanosyl)-β-D-glucopyranoside
  • セグイノシドC
  • Seguinoside C
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