(5alpha,11beta)-11-Hydroxypregnane-3,20-Dione
[CAS# 565-94-6]

Identification

• Name: (5alpha,11beta)-11-Hydroxypregnane-3,20-Dione
• Synonyms: 5α-Pregnan-11β-ol-3,20-dione
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 565-94-6
• SMILES: O=C4C[C@@H]3CC[C@@H]2[C@H]([C@@H](O)C[C@]1(C)[C@@H](C(=O)C)CC[C@H]12)[C@@]3(C)CC4
• InChI: 1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15-,16+,17-,18-,19+,20-,21+/m0/s1
• InChIKey: XHCCPSKYYJBSAA-HFLNPCQSSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 468.073°C at 760 mmHg (Cal.)
• Flash point: 250.998°C (Cal.)