17alpha-Acetoxy-6,16-Di-Methylene-Pregn-4-En-3,20-Dione
[CAS# 80097-73-0]

Identification

• Name: 17alpha-Acetoxy-6,16-Di-Methylene-Pregn-4-En-3,20-Dione
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-6,16-Dimethylene-3-Oxo-2,7,8,9,11,12,14,15-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-6,16-Dimethylene-3-Oxo-2,7,8,9,11,12,14,15-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-10,13-Dimethyl-6,16-Dimethylene-2,7,8,9,11,12,14,15-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₃₂O₄
• Molecular Weight: 396.53
• CAS Registry Number: 80097-73-0
• SMILES: [C@@H]23CC(C1=CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC([C@@]4(C(C)=O)OC(=O)C)=C)C)C)=O)=C
• InChI: 1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h13,19-20,22H,1-2,7-12H2,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
• InChIKey: WJFDQNDYQVFWKP-DWNQPYOZSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 516.609°C at 760 mmHg (Cal.)
• Flash point: 221.939°C (Cal.)