Estradiol 17-Acetate
[CAS# 6045-67-6]

Identification

• Name: Estradiol 17-Acetate
• Synonyms: Acetic Acid [(8R,9S,13S,14S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,13S,14S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; Estra-1,3,5(10)-Triene-3,17-Diol, 17-Acetate
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 6045-67-6
• SMILES: [C@H]12[C@@](C(OC(C)=O)CC1)(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
• InChI: 1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19?,20+/m1/s1
• InChIKey: QAHOQNJVHDHYRN-QDSUGMFFSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 450.469°C at 760 mmHg (Cal.)
• Flash point: 181.875°C (Cal.)