Chem
J-GLOBAL ID：200907094272071122   Nikkaji number：J2.134.016B

Cucurbitoside B

ククルビトシドB
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： C26H32O13
Molecular formula furigana： C26-H32-O13
Molecular weight： 552.529
InChI： InChI=1S/C26H32O13/c27-10-9-14-1-7-17(8-2-14)37-24-21(20(31)19(30)18(11-28)38-24)39-25-22(32)26(34,13-36-25)12-35-23(33)15-3-5-16(29)6-4-15/h1-8,18-22,24-25,27-32,34H,9-13H2/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChI key： AYLSGEWHCBDIDG-JUKYQPCLSA-N
SMILES： OCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(COC(=O)c3ccc(O)cc3)[C@H]2O)cc1
Systematic name  (4)：
  • 4-[2-O-[5-O-(4-ヒドロキシベンゾイル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシルオキシ]フェネチルアルコール
  • 4-(2-ヒドロキシエチル)フェニル2-O-[5-O-(4-ヒドロキシベンゾイル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-[4-(2-ヒドロキシエチル)フェノキシ]-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル 4-ヒドロキシベンゾアート
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
Other name (4)：
  • 4-[2-O-[5-O-(4-Hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranosyloxy]phenethyl alcohol
  • ククルビトシドB
  • Cucurbitoside B
  • 4-(2-Hydroxyethyl)phenyl 2-O-[5-O-(4-hydroxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
Thsaurus map：
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