Chem
J-GLOBAL ID：200907016072435161   Nikkaji number：J284.136C

(4aR,9aR)-4,4a,7,9aα-Tetrahydro-2,3,4aα,7,7-pentamethyl-1H-benzocyclohepten-5(6H)-one

(4aR,9aR)-2,3,4a,7,7-ペンタメチル-4,4a,5,6,7,9a-ヘキサヒドロ-1H-ベンゾ[7]アンヌレン-5-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： C16H24O
Molecular formula furigana： C16-H24-O
Molecular weight： 232.367
InChI： InChI=1S/C16H24O/c1-11-8-13-6-7-15(3,4)10-14(17)16(13,5)9-12(11)2/h6-7,13H,8-10H2,1-5H3/t13-,16+/m0/s1
InChI key： FAVLSIZNTDXMMC-XJKSGUPXSA-N
SMILES： CC1=C(C)C[C@]2(C)[C@H](C1)C=CC(C)(C)CC2=O
Systematic name  (3)：
  • (4aR,9aR)-4,4a,7,9aα-テトラヒドロ-2,3,4aα,7,7-ペンタメチル-1H-ベンゾシクロヘプテン-5(6H)-オン
  • (4aR,9aR)-2,3,4a,7,7-ペンタメチル-4,4a,5,6,7,9a-ヘキサヒドロ-1H-ベンゾ[7]アンヌレン-5-オン
  • (4aR,9aR)-2,3,4a,7,7-pentamethyl-4,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulen-5-one
Other name (1)：
  • (4aR,9aR)-4,4a,7,9aα-Tetrahydro-2,3,4aα,7,7-pentamethyl-1H-benzocyclohepten-5(6H)-one
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