(11beta,20R)-11,20,21-Trihydroxypregn-4-en-3-one
[CAS# 977-22-0]

Identification

• Name: (11beta,20R)-11,20,21-Trihydroxypregn-4-en-3-one
• Synonyms: 4-Pregnene-11β,20α,21-triol-3-one
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 977-22-0
• SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4[C@H](CO)O)C)O
• InChI: 1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-19,22,24-25H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,18-,19+,20-,21-/m0/s1
• InChIKey: DCMCEXCRUWBAFV-SLLBYLKQSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 549.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 300.0±26.6°C (Cal.)