5-alpha-Pregnan-3-alpha, 17-Diol-20-One
[CAS# 6890-65-9]

Identification

• Name: 5-alpha-Pregnan-3-alpha, 17-Diol-20-One
• Synonyms: 3Alpha,17-Dihydroxy-5Alpha-Pregnan-20-One; Pregnan-20-One, 3,17-Dihydroxy-, (3Alpha,5Alpha)-
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 6890-65-9
• EINECS: 229-994-6
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@@H](CC2)C[C@@H](CC3)O)CC[C@@]4(C(C)=O)O
• 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-JRRMKBMNSA-N

Properties

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