Orestrate
[CAS# 13885-31-9]

Identification

• Name: Orestrate
• Synonyms: Propanoic Acid [(8R,9S,13S,14S)-17-(1-Cyclohexenyloxy)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Propionic Acid [(8R,9S,13S,14S)-17-(1-Cyclohexenyloxy)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 1,3,5(10)-Estratrien-3-Ol, 17Beta-(1-Cyclohexenyloxy)-, Propionate
• Molecular Formula: C₂₇H₃₆O₃
• Molecular Weight: 408.58
• CAS Registry Number: 13885-31-9
• SMILES: [C@H]35[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CC)C=C2)CC[C@@]3(C(OC4=CCCCC4)CC5)C
• InChI: 1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25?,27+/m1/s1
• InChIKey: VYAXJSIVAVEVHF-ANDQEWDQSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 542.299°C at 760 mmHg (Cal.)
• Flash point: 236.36°C (Cal.)