(17beta)-17-Ethynyl-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl Acetate
[CAS# 21221-29-4]

Identification

• Name: (17beta)-17-Ethynyl-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl Acetate
• Molecular Formula: C₂₂H₂₆O₃
• Molecular Weight: 338.44
• CAS Registry Number: 21221-29-4
• SMILES: O=C(O[C@@]4(C#C)CC[C@H]3[C@H]2[C@@H](c1ccc(O)cc1CC2)CC[C@@]34C)C
• InChI: 1S/C22H26O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
• InChIKey: SZCORSRXZZKFQZ-AANPDWTMSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 463.201°C at 760 mmHg (Cal.)
• Flash point: 184.216°C (Cal.)
• Refractive index: 1.594 (Cal.)