Estra-1,3,5(10)-Triene-3,17beta-Diol 17-Palmitate
[CAS# 5776-45-4]

Identification

• Name: Estra-1,3,5(10)-Triene-3,17beta-Diol 17-Palmitate
• Synonyms: Hexadecanoic 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; Palmitic 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-3,17Beta-Diol 17-Palmitate
• Molecular Formula: C₃₄H₅₄O₃
• Molecular Weight: 510.80
• CAS Registry Number: 5776-45-4
• EINECS: 227-300-6
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC[C@@]3([C@@H](OC(=O)CCCCCCCCCCCCCCC)CC4)C
• InChI: 1S/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3/t29-,30-,31+,32+,34+/m1/s1
• InChIKey: XQKLZLWOOGGXMV-KWXXMMNJSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 608.936°C at 760 mmHg (Cal.)
• Flash point: 222.141°C (Cal.)