(5alpha)-17,21-Dihydroxypregnane-3,20-Dione
[CAS# 312-99-2]

Identification

• Name: (5alpha)-17,21-Dihydroxypregnane-3,20-Dione
• Synonyms: 5-α-DIHYDROSUBSTANCES
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 312-99-2
• SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
• InChI: 1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13,15-17,22,25H,3-12H2,1-2H3/t13-,15+,16-,17-,19-,20-,21-/m0/s1
• InChIKey: WNIBSYGPDJBVOA-ROQVDZSBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 504.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 272.7±26.6°C (Cal.)