3beta-Hydroxy-5alpha-Pregna-9(11),16-Dien-20-One 3-Acetate
[CAS# 21650-83-9]

Identification

• Name: 3beta-Hydroxy-5alpha-Pregna-9(11),16-Dien-20-One 3-Acetate
• Synonyms: Acetic Acid (17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ester; (17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ethanoate; 3Beta-Hydroxy-5Alpha-Pregna-9(11),16-Dien-20-One 3-Acetate
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.50
• CAS Registry Number: 21650-83-9
• EINECS: 244-497-4
• SMILES: CC14C(C3C(=CC1)C2(C(CC(OC(C)=O)CC2)CC3)C)CC=C4C(C)=O
• InChI: 1S/C23H32O3/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/h7,10,16-18,20H,5-6,8-9,11-13H2,1-4H3
• InChIKey: GBSGMSKNTLPLQF-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 468.444°C at 760 mmHg (Cal.)
• Flash point: 201.952°C (Cal.)