Products 75803-39-3

CAS 75803-39-3 appears in our catalog under these names: Ethynyl Estradiol 17-Beta-D-Glucuronide, >95% (HPLC), Ethynyl estradiol 17-b-D-glucuronide, Ethynyl estradiol 17-β-D-glucuronide. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 2mg, 10mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 75803-39-3) is a chemical compound with the molecular formula C26H32O8 and a molecular weight of 472.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: SQQXJBRONRGLRT-LPVANVSSSA-N.

Identity
Molecular formulaC26H32O8
Molecular weight472.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeySQQXJBRONRGLRT-LPVANVSSSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O

Computed by PubChem (NCBI)