3-O-Benzyl Fulvestrant

Ref. TR-B997118

Product Information

• Name: 3-O-Benzyl Fulvestrant
• Synonyms: (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
• Brand: TRC
• Description: Applications 3-O-Benzyl Fulvestrant is an impurity in the synthesis of Fulvestrant 17-β-D-Glucuronide. A metabolite of Fulvestrant (F862500).References Rao, P., et al.: J. Steroid Biochem., 25, 417 (1986), Wakeling, A., et al.: J. Steroid Biochem. Mol. Biol., 43, 173 (1992), DeFriend, D., et al.: Cancer Res., 54, 408 (1994),

Chemical properties

• Molecular weight: 696.893
• Formula: C₃₉H₅₃F₅O₃S
• Color/Form: Neat
• InChI: InChI=1S/C39H53F5O3S/c1-37-22-20-33-32-17-16-31(47-27-28-13-8-7-9-14-28)26-30(32)25-29(36(33)34(37)18-19-35(37)45)15-10-5-3-2-4-6-11-23-48(46)24-12-21-38(40,41)39(42,43)44/h7-9,13-14,16-17,26,29,33-36,45H,2-6,10-12,15,18-25,27H2,1H3/t29-,33-,34+,35+,36-,37+,48?/m1/s1
• InChI key: InChIKey=WCGXJPFHTHQNJL-UHFFFAOYSA-N
• SMILES: CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1