Chem
J-GLOBAL ID：200907059918415771   Nikkaji number：J1.008.825I

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

[(5S)-2-オキソ-3,8α-ジメチル-5α-(1-メチル-1-ヒドロキシエチル)-1,2,4,5,6,7,8,8aα-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： C21H34O8
Molecular formula furigana： C21-H34-O8
Molecular weight： 414.495
InChI： InChI=1S/C21H34O8/c1-9-5-15(28-20-19(26)18(25)17(24)16(8-22)29-20)13(21(3,4)27)6-12-10(2)14(23)7-11(9)12/h9,11,13,15-20,22,24-27H,5-8H2,1-4H3/t9-,11+,13-,15-,16+,17+,18-,19+,20+/m0/s1
InChI key： WXAYCDUEQQEHMR-HDFMWDNXSA-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)O
Systematic name  (3)：
  • [(5S)-2-オキソ-3,8α-ジメチル-5α-(1-メチル-1-ヒドロキシエチル)-1,2,4,5,6,7,8,8aα-オクタヒドロアズレン]-6β-イルβ-D-グルコピラノシド
  • (5S,6S,8S,8aR)-5-(2-ヒドロキシプロパン-2-イル)-3,8-ジメチル-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-2-オン
  • (5S,6S,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-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-2-one
Other name (1)：
  • [(5S)-2-Oxo-3,8α-dimethyl-5α-(1-methyl-1-hydroxyethyl)-1,2,4,5,6,7,8,8aα-octahydroazulene]-6β-yl β-D-glucopyranoside
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