Chem
J-GLOBAL ID：200907002138843290   Nikkaji number：J1.445.672D

16β-Benzylestradiol

16β-ベンジルエストラジオール
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： C25H30O2
Molecular formula furigana： C25-H30-O2
Molecular weight： 362.513
InChI： InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21+,22+,23-,24-,25-/m0/s1
InChI key： BLOLGUACGJBTQO-SKKBRJBHSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](Cc1ccccc1)[C@@H]2O
Systematic name  (3)：
  • 16β-ベンジルエストラジオール
  • (1S,2R,3aS,3bR,9bS,11aS)-2-ベンジル-11a-メチル-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-1,7-ジオール
  • (1S,2R,3aS,3bR,9bS,11aS)-2-benzyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 16β-Benzylestradiol
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