[2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 2-Bromoacetate
[CAS# 36049-51-1]

Identification

• Name: [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 2-Bromoacetate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2-Bromoacetate; 2-Bromoacetic Acid [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 2-Bromoacetic Acid [2-Keto-2-[(8S,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester
• Molecular Formula: C₂₃H₃₁BrO₄
• Molecular Weight: 451.40
• CAS Registry Number: 36049-51-1
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)COC(=O)CBr)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C23H31BrO4/c1-22-9-7-15(25)11-14(22)3-4-16-17-5-6-19(20(26)13-28-21(27)12-24)23(17,2)10-8-18(16)22/h11,16-19H,3-10,12-13H2,1-2H3/t16-,17-,18-,19+,22-,23-/m0/s1
• InChIKey: MTUSCDYDTPSRHE-XAFQUIJGSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 547.347°C at 760 mmHg (Cal.)
• Flash point: 284.825°C (Cal.)