4,5-Epoxyestrene-3-One-17-Ol
[CAS# 85382-36-1]

Identification

• Name: 4,5-Epoxyestrene-3-One-17-Ol
• Synonyms: 4,5-Epoxyestrene-3-One-17-Ol; Estr-1-En-3-One, 4,5-Epoxy-17-Hydroxy-, (4Beta,5Beta,17Beta)-
• Molecular Formula: C₁₈H₂₄O₃
• Molecular Weight: 288.39
• CAS Registry Number: 85382-36-1
• SMILES: [C@@H]15C(C=C[C@H]3[C@@]1(CC[C@H]4[C@@H]2CC[C@@H]([C@@]2(C)CC[C@H]34)O)O5)=O
• InChI: 1S/C18H24O3/c1-17-8-6-11-10(12(17)3-5-15(17)20)7-9-18-13(11)2-4-14(19)16(18)21-18/h2,4,10-13,15-16,20H,3,5-9H2,1H3/t10-,11+,12+,13-,15+,16-,17+,18-/m1/s1
• InChIKey: OVRPQVINUMQNMU-SVIAEIDWSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 457.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 167.5±22.2°C (Cal.)