3b-Hydroxy-5a-pregnan-16-en-20-one
[CAS# 566-61-0]

Identification

• Name: 3b-Hydroxy-5a-pregnan-16-en-20-one
• Synonyms: Zinc02120337; 16-Pregnolone; 3Beta-Hydroxy-5Alpha-Pregn-16-En-20-One
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 566-61-0
• SMILES: [C@]13(C(=CC[C@H]1[C@@H]2CC[C@@H]4[C@@]([C@H]2CC3)(CC[C@H](O)C4)C)C(=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/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
• InChIKey: SFXPZLCQRZASKK-CKBUFISISA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 443.741°C at 760 mmHg (Cal.)
• Flash point: 189.131°C (Cal.)