(3beta,5alpha)-3,17,21-Trihydroxypregnane-11,20-Dione
[CAS# 516-45-0]

Identification

• Name: (3beta,5alpha)-3,17,21-Trihydroxypregnane-11,20-Dione
• Molecular Formula: C₂₁H₃₂O₅
• Molecular Weight: 364.48
• CAS Registry Number: 516-45-0
• SMILES: OCC(=O)[C@@]2(O)CC[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C
• InChI: 1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1
• InChIKey: SYGWGHVTLUBCEM-SDYDLROXSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 544.468°C at 760 mmHg (Cal.)
• Flash point: 297.149°C (Cal.)