Chem
J-GLOBAL ID：200907066029873020   Nikkaji number：J1.518.782D

(3S,3aS,6Z,10E,11aS)-2-Oxo-3,10-dimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylic acid β-D-glucopyranosyl ester

(3S,3aS,6Z,10E,11aS)-2-オキソ-3,10-ジメチル-2,3,3a,4,5,8,9,11a-オクタヒドロシクロデカ[b]フラン-6-カルボン酸β-D-グルコピラノシル
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： C21H30O9
Molecular formula furigana： C21-H30-O9
Molecular weight： 426.462
InChI： InChI=1S/C21H30O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,11,13-18,21-25H,3-4,6-7,9H2,1-2H3/b10-8+,12-5-/t11-,13-,14+,15+,16+,17-,18+,21-/m0/s1
InChI key： MZHAVSOJYFEDBV-YUSNIWGTSA-N
SMILES： C[C@H]1[C@@H]2CC/C(=C/CC/C(=C/[C@H]2OC1=O)/C)/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (3S,3aS,6Z,10E,11aS)-2-オキソ-3,10-ジメチル-2,3,3a,4,5,8,9,11a-オクタヒドロシクロデカ[b]フラン-6-カルボン酸β-D-グルコピラノシル
  • (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 (3S,3aS,11aS)-3,10-ジメチル-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-6-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (3S,3aS,11aS)-3,10-dimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate
Other name (1)：
  • (3S,3aS,6Z,10E,11aS)-2-Oxo-3,10-dimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylic acid β-D-glucopyranosyl ester
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