4-Pregnene-3alpha-Ol-20-One
[CAS# 25680-68-6]

Identification

• Name: 4-Pregnene-3alpha-Ol-20-One
• Synonyms: 3-Hydroxypregn-4-En-20-One; 3Alpha-Hydroxy-4-Pregnen-20-One; Pregn-4-En-20-One, 3-Hydroxy-, (3Alpha)-
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 25680-68-6
• SMILES: [C@]34([C@H]([C@@H]2CCC1=C[C@@H](CC[C@@]1([C@H]2CC3)C)O)CC[C@@H]4C(=O)C)C
• InChI: 1S/C21H32O2/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/h12,15-19,23H,4-11H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
• InChIKey: QWVWXRKHAXWWSV-QYYVTAPASA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 444.877°C at 760 mmHg (Cal.)
• Flash point: 189.6°C (Cal.)