Chem
J-GLOBAL ID:200907017715007991   Nikkaji number:J2.268.686K

Cucurbitoside M

ククルビトシドM
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: C25H31NO12
Molecular formula furigana: C25-H31-N-O12
Molecular weight: 537.518
InChI: InChI=1S/C25H31NO12/c26-15-5-3-14(4-6-15)22(32)34-11-25(33)12-35-24(21(25)31)38-20-19(30)18(29)17(10-28)37-23(20)36-16-7-1-13(9-27)2-8-16/h1-8,17-21,23-24,27-31,33H,9-12,26H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
InChI key: GDKZNHGIXKBQNU-KXQNOTADSA-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(CO)cc2)[C@@H]1O
Systematic name  (3):
  • 4-(ヒドロキシメチル)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-6-(ヒドロキシメチル)-2-[4-(ヒドロキシメチル)フェノキシ]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-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate
Other name (3):
  • 4-(Hydroxymethyl)phenyl 2-O-[5-O-(4-aminobenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • Cucurbitoside M
  • ククルビトシドM
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