Products 2479-91-6

CAS 2479-91-6 appears in our catalog under these names: Estriol 3-Glucuronide, Estriol 3–glucuronide. Offered by: Chemat Brand, GLPBio, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, Get quote.

Estriol 3-Glucuronide
Chemat Brand, MedChemExpress
  • size: on request, Get quote
  • Variants: 3
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Estriol 3–glucuronide
GLPBio
  • size: 1mg, 5mg
  • Variants: 2
from 2310.10
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Structural formula: {0} (CAS {1})

Estriol 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is the 3-beta-D-glucuronide of estriol; a steroid hormone ligand recognised by the monoclonal antibody 4155. It has a role as an estrogen and an epitope. It is a 16alpha-hydroxy steroid, a steroid glucosiduronic acid and a 17beta-hydroxy steroid. It is functionally related to an estriol. It is a conjugate acid of an estriol 3-O-(beta-D-glucuronide)(1-). It derives from a hydride of an estrane.

Source: ChEBI

Identity
Molecular formulaC24H32O9
Molecular weight464.5 g/mol
IUPAC name(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
InChIKeyUZKIAJMSMKLBQE-JRSYHJKYSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Estriol 3-glucuronide, 16alpha,17beta-Estriol 3-(beta-D-glucuronide), estriol 3-O-(beta-D-glucuronide), estra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-D-glucuronide, Estriol 3-?-D-Glucuronide (sodium salt), orb1692834
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,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