4-Amino-N-Fluorescein Isothiocyanate-17-Estradiol
[CAS# 82420-81-3]

Identification

• Name: 4-Amino-N-Fluorescein Isothiocyanate-17-Estradiol
• Synonyms: 3-[(3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl)Imino]-5-Isothiocyanato-Spiro[Isobenzofuran-1,9'-Xanthene]-3',6'-Diol; 3-[(3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl)Imino]-5-Isothiocyanatospiro[Isobenzofuran-1,9'-Xanthene]-3',6'-Diol; 3-[(3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-4-Yl)Imino]-5-Isothiocyanato-Spiro[2-Benzofuran-1,9'-Xanthene]-3',6'-Diol
• Molecular Formula: C₃₉H₃₄N₂O₆S
• Molecular Weight: 658.77
• CAS Registry Number: 82420-81-3
• SMILES: S=C=NC9=CC1=C(C7(OC1=NC2=C5C(=CC=C2O)C4C(C3C(C(O)CC3)(CC4)C)CC5)C6=CC=C(O)C=C6OC8=CC(=CC=C78)O)C=C9
• InChI: 1S/C39H34N2O6S/c1-38-15-14-24-23-7-12-32(44)36(26(23)6-5-25(24)28(38)11-13-35(38)45)41-37-27-16-20(40-19-48)2-8-29(27)39(47-37)30-9-3-21(42)17-33(30)46-34-18-22(43)4-10-31(34)39/h2-4,7-10,12,16-18,24-25,28,35,42-45H,5-6,11,13-15H2,1H3
• InChIKey: KBKXIPOFJKAJGG-UHFFFAOYSA-N