3-alpha,12-alpha-Diacetoxypregnan-20-One
[CAS# 15991-93-2]

Identification

• Name: 3-alpha,12-alpha-Diacetoxypregnan-20-One
• Synonyms: (3-Acetoxy-17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl) Acetate; Acetic Acid (3-Acetoxy-17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl) Ester; (3-Acetyloxy-17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-12-Yl) Ethanoate
• Molecular Formula: C₂₅H₃₈O₅
• Molecular Weight: 418.57
• CAS Registry Number: 15991-93-2
• SMILES: CC34C2C(C1C(C(C(C)=O)CC1)(C)C(C2)OC(C)=O)CCC3CC(OC(C)=O)CC4
• InChI: 1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3
• InChIKey: VYZPGMGWYUEREY-UHFFFAOYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 490.473°C at 760 mmHg (Cal.)
• Flash point: 208.237°C (Cal.)