5-alpha-Pregn-2-en-20-one
[CAS# 969-72-2]

Identification

• Name: 5-alpha-Pregn-2-en-20-one
• Synonyms: 5Alpha-Pregn-2-En-20-One; Nsc60469; Zinc04104852
• Molecular Formula: C₂₁H₃₂O
• Molecular Weight: 300.48
• CAS Registry Number: 969-72-2
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC=CC3)C)CC[C@@H]4C(=O)C)C
• InChI: 1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
• InChIKey: PERPPAKFLWZECF-QYYVTAPASA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 392.568°C at 760 mmHg (Cal.)
• Flash point: 165.92°C (Cal.)