Chem
J-GLOBAL ID：200907070021580110   Nikkaji number：J2.212.947C

6α-Phenylestrone

6α-フェニルエストロン
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： C24H26O2
Molecular formula furigana： C24-H26-O2
Molecular weight： 346.470
InChI： InChI=1S/C24H26O2/c1-24-12-11-18-17-8-7-16(25)13-20(17)19(15-5-3-2-4-6-15)14-21(18)22(24)9-10-23(24)26/h2-8,13,18-19,21-22,25H,9-12,14H2,1H3/t18-,19-,21-,22+,24+/m1/s1
InChI key： VIZHECRTWMNURB-JVKFEPQXSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](C[C@H](c4ccccc4)c4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name  (3)：
  • 6α-フェニルエストロン
  • (3aS,3bR,5R,9bS,11aS)-7-ヒドロキシ-11a-メチル-5-フェニル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オン
  • (3aS,3bR,5R,9bS,11aS)-7-hydroxy-11a-methyl-5-phenyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1)：
  • 6α-Phenylestrone
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