(3alpha,20R)-Pregn-4-Ene-3,20-Diol
[CAS# 60966-95-2]

Identification

• Name: (3alpha,20R)-Pregn-4-Ene-3,20-Diol
• Synonyms: 4-Pregnene-3-α,20-β-diol
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.49
• CAS Registry Number: 60966-95-2
• SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)O)C)O
• InChI: 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,15-19,22-23H,4-11H2,1-3H3/t13-,15-,16+,17-,18+,19+,20+,21-/m1/s1
• InChIKey: IBMZAHKIAAJREF-ONNYUIQLSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 449.5±18.0°C at 760 mmHg (Cal.)
• Flash point: 199.5±15.8°C (Cal.)