5,6alpha-Epoxy-3beta-Hydroxy-5alpha-Pregnan-20-One
[CAS# 2193-00-2]

Identification

• Name: 5,6alpha-Epoxy-3beta-Hydroxy-5alpha-Pregnan-20-One
• Synonyms: Nsc63555; Pregnan-20-One, 5,6-Epoxy-3-Hydroxy-, (3.Beta.,5.Alpha.,6.Alpha.)-; 5Alpha,6Alpha-Epoxy-3Beta-Hydroxypregnan-20-One
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 2193-00-2
• EINECS: 218-588-4
• SMILES: [C@]123O[C@H]1C[C@@H]4[C@@H]([C@]2(CC[C@@H](C3)O)C)CC[C@]5([C@H]4CC[C@@H]5C(=O)C)C
• InChI: 1S/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-/m0/s1
• InChIKey: QLULPRPVLIPVFS-WVFTZONGSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 465.238°C at 760 mmHg (Cal.)
• Flash point: 159.704°C (Cal.)