3 beta-Acetoxy-5,6 beta-Dichloromethylene-5 beta-Androstan-17-One
[CAS# 84412-90-8]

Identification

• Name: 3 beta-Acetoxy-5,6 beta-Dichloromethylene-5 beta-Androstan-17-One
• Synonyms: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-Dichloro-10,13-Dimethyl-2-Methylene-17-Oxo-1,3,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-Dichloro-10,13-Dimethyl-2-Methylene-17-Oxo-1,3,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-Dichloro-17-Keto-10,13-Dimethyl-2-Methylene-1,3,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₂H₃₀Cl₂O₃
• Molecular Weight: 413.38
• CAS Registry Number: 84412-90-8
• SMILES: [C@@H]1(C(C[C@]3([C@@](C1)([C@@H](C[C@H]4[C@@H]2CCC([C@@]2(C)CC[C@H]34)=O)Cl)Cl)C)=C)OC(=O)C
• InChI: 1S/C22H30Cl2O3/c1-12-10-21(4)16-7-8-20(3)15(5-6-19(20)26)14(16)9-18(23)22(21,24)11-17(12)27-13(2)25/h14-18H,1,5-11H2,2-4H3/t14-,15-,16-,17+,18+,20-,21+,22+/m0/s1
• InChIKey: FJPIHKZAAPQDLP-RLEXBPSYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 493.17°C at 760 mmHg (Cal.)
• Flash point: 162.628°C (Cal.)