(8S,9S,10R,13S,14S,17S)-17-(2,2-Dichloroacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 117038-59-2]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-17-(2,2-Dichloroacetyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-(2,2-Dichloro-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17S)-17-(2,2-Dichloroethanoyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 21,21-Dcp
• Molecular Formula: C₂₁H₂₈Cl₂O₂
• Molecular Weight: 383.36
• CAS Registry Number: 117038-59-2
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C(Cl)Cl)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C21H28Cl2O2/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/h11,14-17,19H,3-10H2,1-2H3/t14-,15-,16-,17+,20-,21-/m0/s1
• InChIKey: FDEHPBNJFZBCBX-GQDVPIKJSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 488.187°C at 760 mmHg (Cal.)
• Flash point: 204.749°C (Cal.)