Estradiol-17-Arachidonate
[CAS# 82204-96-4]

Identification

• Name: Estradiol-17-Arachidonate
• Synonyms: (5E,8E,11E,14E)-Icosa-5,8,11,14-Tetraenoic Acid (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-3,17-Diol (17Beta)-, 17-(5,8,11,14-Eicosatetraenoate), (17(All-Z))-; Estradiol-17-Arachidonate
• Molecular Formula: C₃₈H₅₄O₃
• Molecular Weight: 558.84
• CAS Registry Number: 82204-96-4
• SMILES: C4=C3C2C(C1C(C(OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC)CC1)(CC2)C)CCC3=CC(=C4)O
• InChI: 1S/C38H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(40)41-36-26-25-35-34-23-21-30-29-31(39)22-24-32(30)33(34)27-28-38(35,36)2/h7-8,10-11,13-14,16-17,22,24,29,33-36,39H,3-6,9,12,15,18-21,23,25-28H2,1-2H3/b8-7+,11-10+,14-13+,17-16+
• InChIKey: IZRJSEABAODKDO-SHDWVJIKSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 660.543°C at 760 mmHg (Cal.)
• Flash point: 239.262°C (Cal.)