Chem
J-GLOBAL ID：200907024761241202   Nikkaji number：J1.008.826G

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

1-[[(5S)-2-オキソ-3,8α-ジメチル-6α-ヒドロキシ-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： C21H34O8
Molecular formula furigana： C21-H34-O8
Molecular weight： 414.495
InChI： InChI=1S/C21H34O8/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/h9,11,13,15-20,22,24-27H,5-8H2,1-4H3/t9-,11+,13-,15+,16+,17+,18-,19+,20-/m0/s1
InChI key： UMSILWVMZPTKHE-IVDLYLFQSA-N
SMILES： C[C@H]1C[C@@H](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-[[(5S)-2-オキソ-3,8α-ジメチル-6α-ヒドロキシ-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
  • (5S,6R,8S,8aR)-6-ヒドロキシ-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-オン
  • (5S,6R,8S,8aR)-6-hydroxy-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-octahydroazulen-2-one
Other name (1)：
  • 1-[[(5S)-2-Oxo-3,8α-dimethyl-6α-hydroxy-1,2,4,5,6,7,8,8aα-octahydroazulen]-5α-yl]-1-methylethyl β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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