5alpha,6alpha-Epoxy-3beta-Hydroxypregn-16-En-20-One
[CAS# 13485-13-7]

Identification

• Name: 5alpha,6alpha-Epoxy-3beta-Hydroxypregn-16-En-20-One
• Synonyms: 5Alpha-Pregn-16-En-20-One, 5,6Alpha-Epoxy-3Beta-Hydroxy-
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 13485-13-7
• EINECS: 236-794-2
• SMILES: [C@]123OC1C[C@@H]4[C@@H]([C@]2(CC[C@H](O)C3)C)CC[C@]5([C@H]4CC=C5C(=O)C)C
• InChI: 1S/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3/t13-,14-,16-,17-,18?,19+,20+,21-/m0/s1
• InChIKey: FJOFXGFQXDZWJF-DQVHTYIBSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 479.537°C at 760 mmHg (Cal.)
• Flash point: 166.757°C (Cal.)