Estra-1,3,5(10)-Triene-3,17beta-Diol Dibutyrate
[CAS# 63042-23-9]

Identification

• Name: Estra-1,3,5(10)-Triene-3,17beta-Diol Dibutyrate
• Synonyms: Butanoic Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-(1-Oxobutoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8R,9S,13S,14S,17S)-3-Butyryloxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₆H₃₆O₄
• Molecular Weight: 412.57
• CAS Registry Number: 63042-23-9
• EINECS: 263-808-4
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CCC)C=C2)CC[C@@]3([C@@H](OC(=O)CCC)CC4)C
• InChI: 1S/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3/t20-,21-,22+,23+,26+/m1/s1
• InChIKey: KCWOSNZFDYZBNP-IOCWQACJSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 511.593°C at 760 mmHg (Cal.)
• Flash point: 249.416°C (Cal.)