Chem
J-GLOBAL ID：200907084472304720   Nikkaji number：J1.874.488K

(3S,5R,6R,7E,9S)-Megastigman-7-ene-3,5,6,9-tetrol 9-O-β-D-glucopyranoside

(3S,5R,6R,7E,9S)-メガスチグマン-7-エン-3,5,6,9-テトラオール9-O-β-D-グルコピラノシド
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： C19H34O9
Molecular formula furigana： C19-H34-O9
Molecular weight： 406.472
InChI： InChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/t10-,11-,12+,13+,14-,15+,16+,18+,19+/m0/s1
InChI key： XZRJEYQBLXDNNU-KUOOYNHZSA-N
SMILES： C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name  (3)：
  • 2-[(S)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-1,1,3-トリメチルシクロヘキサン-2β,3α,5β-トリオール
  • (2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-{[(2S)-4-[(1R,2R,4S)-1,2,4-トリヒドロキシ-2,6,6-トリメチルシクロヘキシル]ブタ-3-エン-2-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2S)-4-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • 2-[(S)-3-(β-D-Glucopyranosyloxy)-1-butenyl]-1,1,3-trimethylcyclohexane-2β,3α,5β-triol
  • (3S,5R,6R,7E,9S)-メガスチグマン-7-エン-3,5,6,9-テトラオール9-O-β-D-グルコピラノシド
  • (3S,5R,6R,7E,9S)-Megastigman-7-ene-3,5,6,9-tetrol 9-O-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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