(5alpha)-17,21-Dihydroxypregnane-3,11,20-Trione
[CAS# 1482-51-5]

Identification

• Name: (5alpha)-17,21-Dihydroxypregnane-3,11,20-Trione
• Synonyms: 17,21-dihydroxy-5α-pregnane-3,11,20-trione
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.46
• CAS Registry Number: 1482-51-5
• SMILES: O=C3C[C@@]1([C@@](O)(C(=O)CO)CC[C@H]1[C@@H]4CC[C@H]2CC(=O)CC[C@]2(C)[C@@H]34)C
• InChI: 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1
• InChIKey: YCLWEYIBFOLMEM-FZPGBCFJSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 543.875°C at 760 mmHg (Cal.)
• Flash point: 296.791°C (Cal.)
• Refractive index: 1.561 (Cal.)