Chem
J-GLOBAL ID：200907099158673734   Nikkaji number：J866.196K

11-epivaldiviolide

11-エピバルジビオリド
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： C15H22O3
Molecular formula furigana： C15-H22-O3
Molecular weight： 250.338
InChI： InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13-,15-/m0/s1
InChI key： XTQKCVAXPOCYKT-XEGUGMAKSA-N
SMILES： CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2[C@@H](O)OC1=O
Systematic name  (4)：
  • (1S)-4,5,5aα,6,7,8,9,9a-オクタヒドロ-1β-ヒドロキシ-6,6,9aβ-トリメチルナフト[1,2-c]フラン-3(1H)-オン
  • (1S)-1β-ヒドロキシ-6,6,9aβ-トリメチル-4,5,5aα,6,7,8,9,9a-オクタヒドロナフト[1,2-c]フラン-3(1H)-オン
  • (1S,5aS,9aS)-1-ヒドロキシ-6,6,9a-トリメチル-1H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH-ナフト[1,2-c]フラン-3-オン
  • (1S,5aS,9aS)-1-hydroxy-6,6,9a-trimethyl-1H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH-naphtho[1,2-c]furan-3-one
Other name (4)：
  • (1S)-4,5,5aα,6,7,8,9,9a-Octahydro-1β-hydroxy-6,6,9aβ-trimethylnaphtho[1,2-c]furan-3(1H)-one
  • (1S)-1β-Hydroxy-6,6,9aβ-trimethyl-4,5,5aα,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one
  • 11-エピバルジビオリド
  • 11-epivaldiviolide
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