17,20-Dihydroxypregnan-3-One
[CAS# 58701-87-4]

Identification

• Name: 17,20-Dihydroxypregnan-3-One
• Synonyms: 17,20-Dihydroxypregnan-3-One; 17,20Alpha-P-5Beta; 17Alpha,20 Alpha-Dihydroxy-5Beta-Pregnan-3-One
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 58701-87-4
• SMILES: [C@]14([C@](CC[C@H]1[C@H]3[C@@H]([C@@]2([C@H](CC(=O)CC2)CC3)C)CC4)([C@@H](O)C)O)C
• InChI: 1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-14,16-18,22,24H,4-12H2,1-3H3/t13-,14-,16+,17-,18-,19-,20-,21-/m0/s1
• InChIKey: MPTVBUPVUGSWNS-KXJUVYHKSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 468.214°C at 760 mmHg (Cal.)
• Flash point: 251.083°C (Cal.)