Estradiol-17 beta-Decanoate
[CAS# 61748-93-4]

Identification

• Name: Estradiol-17 beta-Decanoate
• Synonyms: Decanoic 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; Capric 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; 17Beta-Oestradiol Decanoate
• Molecular Formula: C₂₈H₄₂O₃
• Molecular Weight: 426.64
• CAS Registry Number: 61748-93-4
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(O)C=C2)CC[C@@]3([C@@H](OC(=O)CCCCCCCCC)CC4)C
• InChI: 1S/C28H42O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h12,14,19,23-26,29H,3-11,13,15-18H2,1-2H3/t23-,24-,25+,26+,28+/m1/s1
• InChIKey: YYFQNZXJGOTFRX-VMBLQBCYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 543.753°C at 760 mmHg (Cal.)
• Flash point: 205.866°C (Cal.)