Allopregnanolone acetate
[CAS# 906-83-2]

Identification

• Name: Allopregnanolone acetate
• Synonyms: Acetic Acid [(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetrad
• Molecular Formula: C₂₃H₃₆O₃
• Molecular Weight: 360.54
• CAS Registry Number: 906-83-2
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@@H](CC2)C[C@H](CC3)OC(C)=O)CC[C@@H]4C(C)=O
• InChI: 1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
• InChIKey: GFHOQCXDABGYAL-POBGKJHXSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 443.675°C at 760 mmHg (Cal.)
• Flash point: 189.433°C (Cal.)