Products 52745-31-0

CAS 52745-31-0 is the registry number for 2-Hydroxyestradiol-2-O-b-D-glucuronide. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg.

2-Hydroxyestradiol-2-O-b-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg
  • Variants: 3
View product
Structural formula: {0} (CAS {1})

(3S,4R,6S)-6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 52745-31-0) is a chemical compound with the molecular formula C24H32O9 and a molecular weight of 464.5 g/mol. IUPAC name: (3S,4R,6S)-6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: JWRIQYSRJXLEHG-QZAHSJHHSA-N.

Identity
Molecular formulaC24H32O9
Molecular weight464.5 g/mol
IUPAC name(3S,4R,6S)-6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyJWRIQYSRJXLEHG-QZAHSJHHSA-N
SMILESCC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O[C@H]5C([C@@H]([C@@H](C(O5)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 2-Hydroxyestradiol-2-O-b-D-glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17S)-4,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(3S,4R,6R)-6-[[(8R,9S,13S,14S,17S)-2,3-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(3S,4R,6S)-6-[(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9
(3S,4R,6R)-6-[[(13S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H32O9