17alpha-Acetoxy-16-Methylene-Pregn-4-En-3,20-Dione
[CAS# 6815-51-6]

Identification

• Name: 17alpha-Acetoxy-16-Methylene-Pregn-4-En-3,20-Dione
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,6,7,8,9,11,12,14,15-Decahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,6,7,8,9,11,12,14,15-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-10,13-Dimethyl-16-Methylene-1,2,6,7,8,9,11,12,14,15-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 6815-51-6
• SMILES: [C@H]12[C@@]([C@](OC(=O)C)(C(C1)=C)C(=O)C)(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C24H32O4/c1-14-12-21-19-7-6-17-13-18(27)8-10-22(17,4)20(19)9-11-23(21,5)24(14,15(2)25)28-16(3)26/h13,19-21H,1,6-12H2,2-5H3/t19-,20+,21+,22+,23+,24+/m1/s1
• InChIKey: XSNMCQGNVPSIQM-CKOZHMEPSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 499.472°C at 760 mmHg (Cal.)
• Flash point: 214.974°C (Cal.)