17β-Estradiol 4-Carboxymethyl

Ref. TR-E668595

Product Information

• Name: 17β-Estradiol 4-Carboxymethyl
• Synonyms: 2-((8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxido-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-4-yl)acetate
• Brand: TRC
• Description: Applications Estradiol 4-Carboxymethyl, is a metabolite of 17β-Estradiol (E888000). Estradiol is the major estrogen secreted by the premenopausal ovary.References Bucala, R., et al.: J. Clin. Endocrinol. Metab., 60, 841 (1985), Telang, N., et al.: Anticancer Res., et al.: 11, 1021 (1991), Seeger, H., et al.: Med. Sci. Res., 26, 481 (1998), Bolton, J., et al.: Chem. Res. Toxicol., 13, 135 (2000),

Chemical properties

• Molecular weight: 330.42
• Formula: C₂₀H₂₆O₄
• Color/Form: Neat
• InChI: InChI=1S/C20H26O4/c1-20-9-8-13-11-4-6-17(21)15(10-19(23)24)12(11)2-3-14(13)16(20)5-7-18(20)22/h4,6,13-14,16,18,21-22H,2-3,5,7-10H2,1H3,(H,23,24)/t13-,14-,16+,18+,20+/m1/s1
• InChI key: InChIKey=PUJARLGUGWBUNJ-AVTNZYFLSA-N
• SMILES: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2(OCC(=O)O2)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O