(17alpha)-3beta-Hydroxypregn-5-En-20-One
[CAS# 566-63-2]

Identification

• Name: (17alpha)-3beta-Hydroxypregn-5-En-20-One
• Synonyms: Pregn-5-En-20-One, 3-Hydroxy-, (3.Beta.,17.Alpha.)-; 17.Alpha.-Pregn-5-En-20-One, 3.Beta.-Hydroxy-; Nsc63273
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 566-63-2
• SMILES: [C@@]34(C)[C@H]([C@H]1[C@@H]([C@]2(C)C(=CC1)C[C@@H](O)CC2)CC3)CC[C@H]4C(=O)C
• InChI: 1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
• InChIKey: ORNBQBCIOKFOEO-NUNROCCHSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 443.263°C at 760 mmHg (Cal.)
• Flash point: 188.934°C (Cal.)