Chem
J-GLOBAL ID：200907086496857412   Nikkaji number：J1.008.821F

1-[[(5R)-2,6-Dioxo-3,8α-dimethyl-1,2,4,5,6,7,8,8aα-octahydroazulen]-5α-yl]-1-methylethyl β-D-glucopyranoside

1-[[(5R)-2,6-ジオキソ-3,8α-ジメチル-1,2,4,5,6,7,8,8aα-オクタヒドロアズレン]-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： C21H32O8
Molecular formula furigana： C21-H32-O8
Molecular weight： 412.479
InChI： InChI=1S/C21H32O8/c1-9-5-15(24)13(6-12-10(2)14(23)7-11(9)12)21(3,4)29-20-19(27)18(26)17(25)16(8-22)28-20/h9,11,13,16-20,22,25-27H,5-8H2,1-4H3/t9-,11+,13-,16+,17+,18-,19+,20-/m0/s1
InChI key： HOARPRMBZILKNQ-CXIQGHRPSA-N
SMILES： C[C@H]1CC(=O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-[[(5R)-2,6-ジオキソ-3,8α-ジメチル-1,2,4,5,6,7,8,8aα-オクタヒドロアズレン]-5α-イル]-1-メチルエチルβ-D-グルコピラノシド
  • (5R,8S,8aR)-3,8-ジメチル-5-(2-{[(2S,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}プロパン-2-イル)-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-2,6-ジオン
  • (5R,8S,8aR)-3,8-dimethyl-5-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4,5,6,7,8,8a-octahydroazulene-2,6-dione
Other name (1)：
  • 1-[[(5R)-2,6-Dioxo-3,8α-dimethyl-1,2,4,5,6,7,8,8aα-octahydroazulen]-5α-yl]-1-methylethyl β-D-glucopyranoside
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