16alpha,17-Epoxy-3 beta-Hydroxy-5alpha-Pregnan-20-One
[CAS# 1097-50-3]

Identification

• Name: 16alpha,17-Epoxy-3 beta-Hydroxy-5alpha-Pregnan-20-One
• Synonyms: 16,17-Ehpo; 16Alpha,17-Epoxy-3Beta-Hydroxy-5Alpha-Pregnan-20-One
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 1097-50-3
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CC5[C@](C(C)=O)([C@@]2(C)CC[C@H]34)O5)C)O
• InChI: 1S/C21H32O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18?,19-,20-,21+/m0/s1
• InChIKey: MSGQPOBWYUXEOQ-HUTPOGKCSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 449.177°C at 760 mmHg (Cal.)
• Flash point: 152.801°C (Cal.)