(17beta)-17-Ethynylestra-1,3,5(10)-Triene-3,17-Diyl Diacetate
[CAS# 13258-68-9]

Identification

• Name: (17beta)-17-Ethynylestra-1,3,5(10)-Triene-3,17-Diyl Diacetate
• Molecular Formula: C₂₄H₂₈O₄
• Molecular Weight: 380.48
• CAS Registry Number: 13258-68-9
• SMILES: O=C(Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)OC(=O)C)[C@@H]3CC4)C)C
• InChI: 1S/C24H28O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,7,9,14,20-22H,6,8,10-13H2,2-4H3/t20-,21-,22+,23+,24+/m1/s1
• InChIKey: UQWZWQYTKPEDAK-DJCPXJLLSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 476.889°C at 760 mmHg (Cal.)
• Flash point: 232.981°C (Cal.)
• Refractive index: 1.572 (Cal.)