Chem
J-GLOBAL ID：200907020513244437   Nikkaji number：J1.008.828C

1-[[(3R,3aα,8aβ)-3β-(Hydroxymethyl)-8α-hydroxy-8-methyldecahydroazulen]-5α-yl]-1-methylethyl β-D-glucopyranoside

1-[[(3R,3aα,8aβ)-3β-(ヒドロキシメチル)-8α-ヒドロキシ-8-メチルデカヒドロアズレン]-5α-イル]-1-メチルエチル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： C21H38O8
Molecular formula furigana： C21-H38-O8
Molecular weight： 418.527
InChI： InChI=1S/C21H38O8/c1-20(2,29-19-18(26)17(25)16(24)15(10-23)28-19)12-6-7-21(3,27)14-5-4-11(9-22)13(14)8-12/h11-19,22-27H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,16+,17-,18+,19-,21-/m0/s1
InChI key： JMCFEDYEUMUAOO-JMYUROMXSA-N
SMILES： CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](CO)[C@H]2C1
Systematic name  (3)：
  • 1-[[(3R,3aα,8aβ)-3β-(ヒドロキシメチル)-8α-ヒドロキシ-8-メチルデカヒドロアズレン]-5α-イル]-1-メチルエチルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-({2-[(3R,3aR,5R,8S,8aR)-8-ヒドロキシ-3-(ヒドロキシメチル)-8-メチル-デカヒドロアズレン-5-イル]プロパン-2-イル}オキシ)-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-({2-[(3R,3aR,5R,8S,8aR)-8-hydroxy-3-(hydroxymethyl)-8-methyl-decahydroazulen-5-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 1-[[(3R,3aα,8aβ)-3β-(Hydroxymethyl)-8α-hydroxy-8-methyldecahydroazulen]-5α-yl]-1-methylethyl β-D-glucopyranoside
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