5beta,6beta-Epoxy-3beta-Hydroxypregn-16-En-20-One
[CAS# 66879-99-0]

Identification

• Name: 5beta,6beta-Epoxy-3beta-Hydroxypregn-16-En-20-One
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 66879-99-0
• EINECS: 266-509-7
• SMILES: [C@@H]23[C@@]5(C1(OC1C[C@H]2[C@H]4[C@](CC3)(C(=CC4)C(=O)C)C)C[C@@H](O)CC5)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-QLJRBLMKSA-N

Properties

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