Pregnanediol
[CAS# 26445-07-8]

Identification

• Name: Pregnanediol
• Synonyms: Pregnanediol (Van)
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 26445-07-8
• SMILES: [C@@H]23CCC1CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4CC)C)C)(O)O
• InChI: 1S/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19+,20-/m0/s1
• InChIKey: JBSVQUOGNMYMSF-CIQUAOMQSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 431.865°C at 760 mmHg (Cal.)
• Flash point: 188.769°C (Cal.)