3-beta,17-alpha-Dihydroxy-5-alpha-Pregnan-20-One
[CAS# 570-54-7]

Identification

• Name: 3-beta,17-alpha-Dihydroxy-5-alpha-Pregnan-20-One
• Synonyms: 3-Beta,17-Alpha-Dihydroxy-5-Alpha-Pregnan-20-One; Allopregnane-3Beta,17Alpha-Diol-20-One
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 570-54-7
• EINECS: 209-331-7
• SMILES: [C@]13([C@](CC[C@H]1[C@@H]2CC[C@@H]4[C@@]([C@H]2CC3)(CC[C@H](O)C4)C)(C(=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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
• InChIKey: LKQDFQLSEHWIRK-FJCZRMHDSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 465.446°C at 760 mmHg (Cal.)
• Flash point: 249.411°C (Cal.)