Estra-1,3,5(10)-Triene-3,17beta-Diol 17-(Cyclooctaneacetate)
[CAS# 66791-46-6]

Identification

• Name: Estra-1,3,5(10)-Triene-3,17beta-Diol 17-(Cyclooctaneacetate)
• Synonyms: 2-Cyclooctylacetic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] 2-Cyclooctylethanoate; 17-Estradiol Cyclooctyl Acetate
• Molecular Formula: C₂₈H₄₀O₃
• Molecular Weight: 424.62
• CAS Registry Number: 66791-46-6
• EINECS: 266-479-5
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)OC(=O)CC5CCCCCCC5)C)O
• InChI: 1S/C28H40O3/c1-28-16-15-23-22-12-10-21(29)18-20(22)9-11-24(23)25(28)13-14-26(28)31-27(30)17-19-7-5-3-2-4-6-8-19/h10,12,18-19,23-26,29H,2-9,11,13-17H2,1H3/t23-,24-,25+,26+,28+/m1/s1
• InChIKey: CZCGBAHDFURTGU-VMBLQBCYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 558.908°C at 760 mmHg (Cal.)
• Flash point: 214.887°C (Cal.)