Chem
J-GLOBAL ID:200907051592981487   Nikkaji number:J2.193.225F

(4aS,9aα)-4aβ,6β-Dimethyl-6-(hydroxymethyl)octahydro-2H-pyrano[3,2-b]oxepin-7-one

(4aS,9aα)-4aβ,6β-ジメチル-6-(ヒドロキシメチル)オクタヒドロ-2H-ピラノ[3,2-b]オキセピン-7-オン
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: C12H20O4
Molecular formula furigana: C12-H20-O4
Molecular weight: 228.288
InChI: InChI=1S/C12H20O4/c1-11-6-3-7-15-10(11)5-4-9(14)12(2,8-13)16-11/h10,13H,3-8H2,1-2H3/t10-,11+,12-/m1/s1
InChI key: SFRHKJUROIJLIT-GRYCIOLGSA-N
SMILES: C[C@]12CCCO[C@@H]1CCC(=O)[C@@](C)(CO)O2
Systematic name  (3):
  • (4aS,9aα)-4aβ,6β-ジメチル-6-(ヒドロキシメチル)オクタヒドロ-2H-ピラノ[3,2-b]オキセピン-7-オン
  • (4aS,6R,9aR)-6-(ヒドロキシメチル)-4a,6-ジメチル-オクタヒドロ-2H-ピラノ[3,2-b]オキセピン-7-オン
  • (4aS,6R,9aR)-6-(hydroxymethyl)-4a,6-dimethyl-octahydro-2H-pyrano[3,2-b]oxepin-7-one
Other name (1):
  • (4aS,9aα)-4aβ,6β-Dimethyl-6-(hydroxymethyl)octahydro-2H-pyrano[3,2-b]oxepin-7-one
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