Estradiol-17-Stearate
[CAS# 82205-00-3]

Identification

• Name: Estradiol-17-Stearate
• Synonyms: Octadecanoic 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; Stearic 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; Estra-1,3,5(10)-Triene-3,17-Diol (17Beta)-, 17-Octadecanoate
• Molecular Formula: C₃₆H₅₈O₃
• Molecular Weight: 538.85
• CAS Registry Number: 82205-00-3
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(O)C=C2)CC[C@@]3([C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC4)C
• InChI: 1S/C36H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h20,22,27,31-34,37H,3-19,21,23-26H2,1-2H3/t31-,32-,33+,34+,36+/m1/s1
• InChIKey: KIADYVOYCQRXRE-IMTRJTTHSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 629.73°C at 760 mmHg (Cal.)
• Flash point: 227.196°C (Cal.)