Chem
J-GLOBAL ID：200907010999032627   Nikkaji number：J1.891.073J

(3S,4S,4aS)-3-Hydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-2H-benzocycloheptene-2-one

(3S,4S,4aS)-3-ヒドロキシ-1,4,4a,7-テトラメチル-3,4,4a,5,8,9-ヘキサヒドロ-2H-ベンゾシクロヘプテン-2-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： C15H22O2
Molecular formula furigana： C15-H22-O2
Molecular weight： 234.339
InChI： InChI=1S/C15H22O2/c1-9-5-6-12-10(2)13(16)14(17)11(3)15(12,4)8-7-9/h7,11,14,17H,5-6,8H2,1-4H3/t11-,14+,15+/m1/s1
InChI key： FUPXAIKSURJKNB-UGFHNGPFSA-N
SMILES： C[C@@H]1[C@H](O)C(=O)C(=C2CCC(=CC[C@@]12C)C)C
Systematic name  (3)：
  • (3S,4S,4aS)-3-ヒドロキシ-1,4,4a,7-テトラメチル-3,4,4a,5,8,9-ヘキサヒドロ-2H-ベンゾシクロヘプテン-2-オン
  • (1S,2S,9aS)-2-ヒドロキシ-1,4,7,9a-テトラメチル-2,3,5,6,9,9a-ヘキサヒドロ-1H-ベンゾ[7]アンヌレン-3-オン
  • (1S,2S,9aS)-2-hydroxy-1,4,7,9a-tetramethyl-2,3,5,6,9,9a-hexahydro-1H-benzo[7]annulen-3-one
Other name (1)：
  • (3S,4S,4aS)-3-Hydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-2H-benzocycloheptene-2-one
Thsaurus map：
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