[(3S,5S,8R,9S,10S,13S,14S,17S)-3-(2-Bromoacetyl)Oxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] 2-Bromoacetate
[CAS# 121520-97-6]

Identification

• Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-3-(2-Bromoacetyl)Oxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] 2-Bromoacetate
• Synonyms: 2-Bromoacetic Acid [(3S,5S,8R,9S,10S,13S,14S,17S)-3-(2-Bromo-1-Oxoethoxy)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 2-Bromoacetic Acid [(3S,5S,8R,9S,10S,13S,14S,17S)-3-(2-Bromoacetyl)Oxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,5S,8R,9S,10S,13S,14S,17S)-3-(2-Bromoethanoyloxy)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₃H₃₄Br₂O₄
• Molecular Weight: 534.33
• CAS Registry Number: 121520-97-6
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CC[C@@H]([C@@]2(C)CC[C@H]34)OC(CBr)=O)C)OC(CBr)=O
• InChI: 1S/C23H34Br2O4/c1-22-9-7-15(28-20(26)12-24)11-14(22)3-4-16-17-5-6-19(29-21(27)13-25)23(17,2)10-8-18(16)22/h14-19H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19-,22-,23-/m0/s1
• InChIKey: ZJOSZVQQVZODIK-OENGMGLDSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 523.583°C at 760 mmHg (Cal.)
• Flash point: 270.453°C (Cal.)