Chem
J-GLOBAL ID：200907027313465115   Nikkaji number：J1.008.824K

[(5S)-2-Oxo-3,8α-dimethyl-5α-(1-methyl-1-acetoxyethyl)-1,2,4,5,6,7,8,8aβ-octahydroazulene]-6β-yl β-D-glucopyranoside

[(5S)-2-オキソ-3,8α-ジメチル-5α-(1-メチル-1-アセトキシエチル)-1,2,4,5,6,7,8,8aβ-オクタヒドロアズレン]-6β-イル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： C23H36O9
Molecular formula furigana： C23-H36-O9
Molecular weight： 456.532
InChI： InChI=1S/C23H36O9/c1-10-6-17(30-22-21(29)20(28)19(27)18(9-24)31-22)15(23(4,5)32-12(3)25)7-14-11(2)16(26)8-13(10)14/h10,13,15,17-22,24,27-29H,6-9H2,1-5H3/t10-,13-,15-,17-,18+,19+,20-,21+,22+/m0/s1
InChI key： BDYSOLCKKJJDJS-MKPFRDEPSA-N
SMILES： C[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CC2=C(C)C(=O)C[C@@H]12)C(C)(C)OC(=O)C
Systematic name  (3)：
  • [(5S)-2-オキソ-3,8α-ジメチル-5α-(1-メチル-1-アセトキシエチル)-1,2,4,5,6,7,8,8aβ-オクタヒドロアズレン]-6β-イルβ-D-グルコピラノシド
  • 2-[(5S,6S,8S,8aS)-3,8-ジメチル-2-オキソ-6-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-5-イル]プロパン-2-イル アセタート
  • 2-[(5S,6S,8S,8aS)-3,8-dimethyl-2-oxo-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]propan-2-yl acetate
Other name (1)：
  • [(5S)-2-Oxo-3,8α-dimethyl-5α-(1-methyl-1-acetoxyethyl)-1,2,4,5,6,7,8,8aβ-octahydroazulene]-6β-yl β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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