Chem
J-GLOBAL ID：200907061168917030   Nikkaji number：J1.070.297F

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

(4aS)-3,6-ジメチル-9-フェニル-8aα-(4-クロロスチリル)-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： C30H23ClO4
Molecular formula furigana： C30-H23-CL-O4
Molecular weight： 482.960
InChI： InChI=1S/C30H23ClO4/c1-17-14-24(32)22-16-23(20-6-4-3-5-7-20)30(13-12-19-8-10-21(31)11-9-19)25(33)15-18(2)29(35)27(30)26(22)28(17)34/h3-16,23,26-27H,1-2H3/t23?,26-,27+,30-/m1/s1
InChI key： ODEPZWYYQXRDGE-LWTNQZRCSA-N
SMILES： CC1=CC(=O)C2=CC(c3ccccc3)[C@@]3(C=Cc4ccc(Cl)cc4)[C@@H]([C@@H]2C1=O)C(=O)C(=CC3=O)C
Systematic name  (3)：
  • (4aS)-3,6-ジメチル-9-フェニル-8aα-(4-クロロスチリル)-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)-8a-[2-(4-クロロフェニル)エテニル]-3,6-ジメチル-9-フェニル-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)-8a-[2-(4-chlorophenyl)ethenyl]-3,6-dimethyl-9-phenyl-1,4,4a,4b,5,8,8a,9-octahydrophenanthrene-1,4,5,8-tetrone
Other name (1)：
  • (4aS)-3,6-Dimethyl-9-phenyl-8aα-(4-chlorostyryl)-4aα,4bα,8a,9-tetrahydrophenanthrene-1,4,5,8-tetrone
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