16,(5-beta)-Pregnen-3-beta-Ol-20-One
[CAS# 566-60-9]

Identification

• Name: 16,(5-beta)-Pregnen-3-beta-Ol-20-One
• Synonyms: 16-Dehydropregnanolone; 16-Pregnenolone; 3-Alpha-Hydroxy-5-Beta-Pregn-16-En-20-One
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 566-60-9
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@H](O)CC2)C)CC[C@]4([C@H]3CC=C4C(=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-/m1/s1
• InChIKey: SFXPZLCQRZASKK-UHGZNKHPSA-N

Properties

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