1,3,5(10)-Estratriene-3,17beta-Diol 17-Benzoate 3-Butanoate
[CAS# 63042-19-3]

Identification

• Name: 1,3,5(10)-Estratriene-3,17beta-Diol 17-Benzoate 3-Butanoate
• Synonyms: Benzoic Acid [13-Methyl-3-(1-Oxobutoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Benzoic Acid (3-Butyryloxy-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-Beta-Diol, 17-Benzoate-3-N-Butyrate
• Molecular Formula: C₂₉H₃₄O₄
• Molecular Weight: 446.59
• CAS Registry Number: 63042-19-3
• SMILES: C1=CC(=CC5=C1C4C(C2C(C(CC2)OC(C3=CC=CC=C3)=O)(CC4)C)CC5)OC(CCC)=O
• InChI: 1S/C29H34O4/c1-3-7-27(30)32-21-11-13-22-20(18-21)10-12-24-23(22)16-17-29(2)25(24)14-15-26(29)33-28(31)19-8-5-4-6-9-19/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3
• InChIKey: JQFFZHSMBIWVHC-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 563.382°C at 760 mmHg (Cal.)
• Flash point: 279.244°C (Cal.)