(3beta,9beta,10alpha)-3,21-Dihydroxypregna-5,7-dien-20-one
[CAS# 86416-32-2]

Identification

• Name: (3beta,9beta,10alpha)-3,21-Dihydroxypregna-5,7-dien-20-one
• Synonyms: 21-Hydroxy-9β,10α-pregna-5,7-diene-3-ol-20-one; Metabolite M
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.46
• CAS Registry Number: 86416-32-2
• SMILES: O=C([C@H]3CC[C@H]4/C2=C/C=C1/C[C@@H](O)CC[C@]1([C@@H]2CC[C@]34C)C)CO
• InChI: 1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,14,16-18,22-23H,5-12H2,1-2H3/t14-,16-,17+,18+,20+,21-/m0/s1
• InChIKey: MGYSTOQOSMRLQF-JZUJSFITSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 502.65°C at 760 mmHg (Cal.)
• Flash point: 271.886°C (Cal.)