(8S,9S,10R,13S,14S,17S)-17-Acetyl-4-Chloro-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 1164-81-4]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-17-Acetyl-4-Chloro-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)-4-Chloro-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; C14676; 4-07-00-02399 (Beilstein Handbook Reference)
• Molecular Formula: C₂₁H₂₉ClO₂
• Molecular Weight: 348.91
• CAS Registry Number: 1164-81-4
• SMILES: [C@H]23[C@@H]([C@@]1(C(=C(Cl)C(=O)CC1)CC2)C)CC[C@]4([C@H]3CC[C@@H]4C(=O)C)C
• InChI: 1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1
• InChIKey: MSWUPHPHYAFBLX-QCGOMIHKSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 462.414°C at 760 mmHg (Cal.)
• Flash point: 194.548°C (Cal.)