3beta,17alpha-Dihydroxy-5beta-Pregnan-20-One
[CAS# 570-53-6]

Identification

• Name: 3beta,17alpha-Dihydroxy-5beta-Pregnan-20-One
• Synonyms: 5.Beta.-Pregnan-20-One, 3.Beta.,17-Dihydroxy-; Nsc21454; Pregnan-20-One, 3,17-Dihydroxy-, (3.Beta.,5.Beta.)-
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.50
• CAS Registry Number: 570-53-6
• SMILES: [C@@]3(CC[C@H]4[C@@H]2CC[C@H]1[C@](CC[C@@H](C1)O)([C@H]2CC[C@]34C)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+/m1/s1
• InChIKey: LKQDFQLSEHWIRK-GNPNMZQZSA-N

Properties

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