2,2-Dichloro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 117038-60-5]

Identification

• Name: 2,2-Dichloro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: 21,21-Dichloropregnenolone; Pregn-5-En-20-One, 21,21-Dichloro-3-Hydroxy-; 21,21-Dcpn
• Molecular Formula: C₂₁H₃₀Cl₂O₂
• Molecular Weight: 385.37
• CAS Registry Number: 117038-60-5
• SMILES: [C@@H]4(CC[C@]2(C(=CC[C@H]3[C@@H]1CC[C@H](C(C(Cl)Cl)=O)[C@@]1(C)CC[C@H]23)C4)C)O
• InChI: 1S/C21H30Cl2O2/c1-20-9-7-13(24)11-12(20)3-4-14-15-5-6-17(18(25)19(22)23)21(15,2)10-8-16(14)20/h3,13-17,19,24H,4-11H2,1-2H3/t13-,14-,15-,16-,17+,20-,21-/m0/s1
• InChIKey: NKTSEDXFEYAMFC-OSQVXGLNSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 484.248°C at 760 mmHg (Cal.)
• Flash point: 246.665°C (Cal.)