Chem
J-GLOBAL ID:200907097690570720   Nikkaji number:J805.203D

3α-Hydroxy-3-(3-phenylpropyl)-5β-pregnan-20-one

3α-ヒドロキシ-3-(3-フェニルプロピル)-5β-プレグナン-20-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: C30H44O2
Molecular formula furigana: C30-H44-O2
Molecular weight: 436.680
InChI: InChI=1S/C30H44O2/c1-21(31)25-13-14-26-24-12-11-23-20-30(32,16-7-10-22-8-5-4-6-9-22)19-18-28(23,2)27(24)15-17-29(25,26)3/h4-6,8-9,23-27,32H,7,10-20H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1
InChI key: NBESPTYNJZOADM-YAVATZFESA-N
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(CCCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 3α-ヒドロキシ-3-(3-フェニルプロピル)-5β-プレグナン-20-オン
  • 1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-ヒドロキシ-9a,11a-ジメチル-7-(3-フェニルプロピル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン
  • 1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-7-(3-phenylpropyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1):
  • 3α-Hydroxy-3-(3-phenylpropyl)-5β-pregnan-20-one
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