Chem
J-GLOBAL ID：200907057778875480   Nikkaji number：J1.874.487B

(3S,5R,6R,7E,9S)-Megastigman-7-ene-3,5,6,9-tetrol 3-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3-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(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/t10-,11-,12+,13+,14-,15+,16+,18+,19+/m0/s1
InChI key： SGUOENJPMRQEMJ-KUOOYNHZSA-N
SMILES： C[C@H](O)C=C[C@@]1(O)C(C)(C)C[C@@H](C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2β,3α-ジヒドロキシ-2-[(S)-3-ヒドロキシ-1-ブテニル]-1,1,3-トリメチルシクロヘキサン-5β-イルβ-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,4R)-3,4-ジヒドロキシ-4-[(3S)-3-ヒドロキシブタ-1-エン-1-イル]-3,5,5-トリメチルシクロヘキシル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,4R)-3,4-dihydroxy-4-[(3S)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • 2β,3α-Dihydroxy-2-[(S)-3-hydroxy-1-butenyl]-1,1,3-trimethylcyclohexane-5β-yl 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3-O-β-D-グルコピラノシド
  • (3S,5R,6R,7E,9S)-Megastigman-7-ene-3,5,6,9-tetrol 3-O-β-D-glucopyranoside
Thsaurus map：
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