Chem
J-GLOBAL ID：200907007576925632   Nikkaji number：J2.268.682H

Cucurbitoside I

ククルビトシドI
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： C26H33NO12
Molecular formula furigana： C26-H33-N-O12
Molecular weight： 551.545
InChI： InChI=1S/C26H33NO12/c27-16-5-3-15(4-6-16)23(33)35-12-26(34)13-36-25(22(26)32)39-21-20(31)19(30)18(11-29)38-24(21)37-17-7-1-14(2-8-17)9-10-28/h1-8,18-22,24-25,28-32,34H,9-13,27H2/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChI key： ACOKXVSLVQCZRD-JUKYQPCLSA-N
SMILES： Nc1ccc(cc1)C(=O)OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(CCO)cc2)[C@@H]1O
Systematic name  (3)：
  • 4-(2-ヒドロキシエチル)フェニル2-O-[5-O-(4-アミノベンゾイル)-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-アミノベンゾアート
  • [(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-aminobenzoate
Other name (3)：
  • 4-(2-Hydroxyethyl)phenyl 2-O-[5-O-(4-aminobenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • Cucurbitoside I
  • ククルビトシドI
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