3-beta,17-alpha-Dihydroxypregn-5-En-20-One 3-Acetate
[CAS# 1863-39-4]

Identification

• Name: 3-beta,17-alpha-Dihydroxypregn-5-En-20-One 3-Acetate
• Synonyms: Acetic Acid (17-Acetyl-17-Hydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl) Ester; (17-Ethanoyl-17-Hydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl) Ethanoate; Pregn-5-En-20-One, 3.Beta.,17-Dihydroxy-, 3-Acetate
• Molecular Formula: C₂₃H₃₄O₄
• Molecular Weight: 374.52
• CAS Registry Number: 1863-39-4
• EINECS: 217-467-3
• SMILES: CC34C(C1C(C2(C(=CC1)CC(OC(C)=O)CC2)C)CC3)CCC4(C(C)=O)O
• InChI: 1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3
• InChIKey: IQCNQJXIOWBNAT-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 485.175°C at 760 mmHg (Cal.)
• Flash point: 160.277°C (Cal.)