Chem
J-GLOBAL ID:200907051297784688   Nikkaji number:J2.643.405J

2-Octyl-3aα,4,9,9aα-tetrahydro-4β,9β-epoxy-1H-benzo[f]indene-1-one

2-オクチル-3aα,4,9,9aα-テトラヒドロ-4β,9β-エポキシ-1H-ベンゾ[f]インデン-1-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: C21H26O2
Molecular formula furigana: C21-H26-O2
Molecular weight: 310.437
InChI: InChI=1S/C21H26O2/c1-2-3-4-5-6-7-10-14-13-17-18(19(14)22)21-16-12-9-8-11-15(16)20(17)23-21/h8-9,11-13,17-18,20-21H,2-7,10H2,1H3/t17-,18-,20+,21-/m1/s1
InChI key: SAOYSHVQMDQKPX-RMVXJAJNSA-N
SMILES: CCCCCCCCC1=C[C@H]2[C@H]3O[C@@H]([C@H]2C1=O)c1ccccc31
Systematic name  (3):
  • 2-オクチル-3aα,4,9,9aα-テトラヒドロ-4β,9β-エポキシ-1H-ベンゾ[f]インデン-1-オン
  • (1R,8S,9S,13R)-11-オクチル-14-オキサテトラシクロ[6.5.1.02,7.09,13]テトラデカ-2,4,6,11-テトラエン-10-オン
  • (1R,8S,9S,13R)-11-octyl-14-oxatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6,11-tetraen-10-one
Other name (1):
  • 2-Octyl-3aα,4,9,9aα-tetrahydro-4β,9β-epoxy-1H-benzo[f]indene-1-one
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