Chem
J-GLOBAL ID：200907099698681477   Nikkaji number：J1.070.298D

(4aS)-3,6-Dimethyl-9-phenyl-8aα-(1-propenyl)-4aα,4bα,8a,9-tetrahydrophenanthrene-1,4,5,8-tetrone

(4aS)-3,6-ジメチル-9-フェニル-8aα-(1-プロペニル)-4aα,4bα,8a,9-テトラヒドロフェナントレン-1,4,5,8-テトラオン
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： C25H22O4
Molecular formula furigana： C25-H22-O4
Molecular weight： 386.447
InChI： InChI=1S/C25H22O4/c1-4-10-25-18(16-8-6-5-7-9-16)13-17-19(26)11-14(2)23(28)21(17)22(25)24(29)15(3)12-20(25)27/h4-13,18,21-22H,1-3H3/t18?,21-,22+,25-/m1/s1
InChI key： JZQMXXHHNVNVPU-CFOVYHNXSA-N
SMILES： CC=C[C@]12C(C=C3[C@H]([C@H]1C(=O)C(=CC2=O)C)C(=O)C(=CC3=O)C)c1ccccc1
Systematic name  (3)：
  • (4aS)-3,6-ジメチル-9-フェニル-8aα-(1-プロペニル)-4aα,4bα,8a,9-テトラヒドロフェナントレン-1,4,5,8-テトラオン
  • (4aS,4bR,8aS)-3,6-ジメチル-9-フェニル-8a-(プロパ-1-エン-1-イル)-1,4,4a,4b,5,8,8a,9-オクタヒドロフェナントレン-1,4,5,8-テトラオン
  • (4aS,4bR,8aS)-3,6-dimethyl-9-phenyl-8a-(prop-1-en-1-yl)-1,4,4a,4b,5,8,8a,9-octahydrophenanthrene-1,4,5,8-tetrone
Other name (1)：
  • (4aS)-3,6-Dimethyl-9-phenyl-8aα-(1-propenyl)-4aα,4bα,8a,9-tetrahydrophenanthrene-1,4,5,8-tetrone
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