[(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-(Dibromomethylidene)-10,13-Dimethyl-3-Oxo-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 79694-56-7]

Identification

• Name: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-(Dibromomethylidene)-10,13-Dimethyl-3-Oxo-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-(Dibromomethylene)-10,13-Dimethyl-3-Oxo-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-(Dibromomethylene)-10,13-Dimethyl-3-Oxo-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-(Dibromomethylene)-3-Keto-10,13-Dimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₄H₃₀Br₂O₄
• Molecular Weight: 542.31
• CAS Registry Number: 79694-56-7
• SMILES: [C@]4(OC(C)=O)(C(=O)C)[C@]3(CC[C@H]1[C@@H](CC(C2=CC(CC[C@]12C)=O)=C(Br)Br)[C@@H]3CC4)C
• InChI: 1S/C24H30Br2O4/c1-13(27)24(30-14(2)28)10-7-19-16-12-17(21(25)26)20-11-15(29)5-8-22(20,3)18(16)6-9-23(19,24)4/h11,16,18-19H,5-10,12H2,1-4H3/t16-,18+,19+,22-,23+,24+/m1/s1
• InChIKey: KGGCKWBZELPNDV-OFOWUMFPSA-N

Properties

• Density: 1.508g/cm³ (Cal.)
• Boiling point: 547.7°C at 760 mmHg (Cal.)
• Flash point: 285.039°C (Cal.)