7alpha-(11-(4-(125I)Iodophenoxy)undecyl)-17beta-estradiol
[CAS# 132054-36-5]

Identification

• Name: 7alpha-(11-(4-(125I)Iodophenoxy)undecyl)-17beta-estradiol
• Synonyms: (7Alpha,17Beta)-7-(11-(4-(Iodo-125I)Phenoxy)Undecyl)Estra-1,3,5(10)-Triene-3,17-Diol; 7-(11-(4-Iodophenoxy)Undecyl)-17-Estradiol; 7Alpha-(11-(4-(125I)Iodophenoxy)Undecyl)-17Beta-Estradiol
• Molecular Formula: C₃₅H₄₉IO₃
• Molecular Weight: 644.67
• CAS Registry Number: 132054-36-5
• SMILES: [C@H]2(CC1=CC(=CC=C1[C@@H]3[C@@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)O)CCCCCCCCCCCOC5=CC=C(C=C5)[125I]
• InChI: 1S/C35H49IO3/c1-35-21-20-31-30-17-14-28(37)24-26(30)23-25(34(31)32(35)18-19-33(35)38)11-9-7-5-3-2-4-6-8-10-22-39-29-15-12-27(36)13-16-29/h12-17,24-25,31-34,37-38H,2-11,18-23H2,1H3/t25-,31-,32+,33+,34-,35+/m1/s1/i36-2
• InChIKey: PUATYBXLOTXELQ-ZBOICZJLSA-N

Properties

• Density: 1.266g/cm³ (Cal.)