Chem
J-GLOBAL ID：200907075481716314   Nikkaji number：J39.529C

Pregnane

プレグナン
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： C21H36
Molecular formula furigana： C21-H36
Molecular weight： 288.519
InChI： InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1
InChI key： JWMFYGXQPXQEEM-WZBAXQLOSA-N
SMILES： CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 5ξ-プレグナン
  • プレグナン
  • (1S,3aS,3bS,9aS,9bS,11aR)-1-エチル-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン
  • (1S,3aS,3bS,9aS,9bS,11aR)-1-ethyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene
Other name (2)：
  • 5ξ-Pregnane
  • Pregnane
CAS registry number： 24909-91-9
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