(3beta,5beta,11beta)-3,11-Dihydroxypregnan-20-One
[CAS# 48200-75-5]

Identification

• Name: (3beta,5beta,11beta)-3,11-Dihydroxypregnan-20-One
• Synonyms: 5β-pregnan-3β,11β-diol-20-one
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.49
• CAS Registry Number: 48200-75-5
• SMILES: CC(=O)[C@H]3CC[C@H]2[C@@H]4CC[C@@H]1C[C@@H](O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C
• InChI: 1S/C21H34O3/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/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-,20+,21-/m1/s1
• InChIKey: NFVCQZNBRFPYOP-LLOTZMHSSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 469.694°C at 760 mmHg (Cal.)
• Flash point: 251.977°C (Cal.)