Products 261506-27-8

CAS 261506-27-8 appears in our catalog under these names: Fulvestrant 3-Beta-D-Glucuronide, Fulvestrant 3-b-D-glucuronide, Fulvestrant 3-β-D-Glucuronide, 94.79%, Fulvestrant-3-Glucuronide Lithium Salt. Offered by: TRC, Biosynth, MedChemExpress, Chemat Brand. Available pack sizes: 10mg, 1mg, 2mg, 5mg, 1 mg, 5 mg, on request.

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

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid (CAS 261506-27-8) is a chemical compound with the molecular formula C38H55F5O9S and a molecular weight of 782.9 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid. InChIKey: RSOPWVCNVAHMQZ-HMGPPUQISA-N.

Identity
Molecular formulaC38H55F5O9S
Molecular weight782.9 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyRSOPWVCNVAHMQZ-HMGPPUQISA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

Computed by PubChem (NCBI)