[(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-11-Yl] 2-Bromoacetate
[CAS# 36049-50-0]

Identification

• Name: [(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-11-Yl] 2-Bromoacetate
• Synonyms: 2-Bromoacetic Acid [(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl] Ester; 2-Bromoacetic Acid [(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl] Ester; [(8S,9S,10R,11R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₃H₃₁BrO₄
• Molecular Weight: 451.40
• CAS Registry Number: 36049-50-0
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](OC(=O)CBr)C[C@]4([C@H]3CC[C@@H]4C(=O)C)C
• InChI: 1S/C23H31BrO4/c1-13(25)17-6-7-18-16-5-4-14-10-15(26)8-9-22(14,2)21(16)19(11-23(17,18)3)28-20(27)12-24/h10,16-19,21H,4-9,11-12H2,1-3H3/t16-,17+,18-,19+,21+,22-,23+/m0/s1
• InChIKey: NKQNWVOTGFLIDE-TZEHSYAMSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 537.5°C at 760 mmHg (Cal.)
• Flash point: 278.87°C (Cal.)