5alpha-Pregnan-20alpha-Ol-3-One
[CAS# 516-59-6]

Identification

• Name: 5alpha-Pregnan-20alpha-Ol-3-One
• Synonyms: 20Alpha-Hydroxy-5Alpha-Pregnan-3-One; 20Beta-Hydroxy-5Alpha-Pregnan-3-One; Allopregnan-20Alpha-Ol-3-One
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.50
• CAS Registry Number: 516-59-6
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)[C@H](C)O)CC[C@H]3CC(CC4)=O
• InChI: 1S/C21H34O2/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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: DYVGYXXLXQESJE-SKLBOBKVSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 433.823°C at 760 mmHg (Cal.)
• Flash point: 185.028°C (Cal.)