Products 2479-90-5

CAS 2479-90-5 appears in our catalog under these names: Estrone β-D-Glucuronide (Estrone-3-Glucuronide), Estrone Impurity 22, Estrone b-D-glucuronide, Estrone 3-glucuronide, 95%, 95%, Estrone 3-glucuronide. Offered by: Chemat Brand, Hubei YoungXin, Chemat, MedChemExpress. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, Get quote.

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

Estrone 3-O-(beta-D-glucuronide) is the 3-beta-D-glucuronide of estrone. It has a role as a mouse metabolite and a human metabolite. It is a beta-D-glucosiduronic acid, a 17-oxo steroid and a steroid glucosiduronic acid. It is functionally related to an estrone. It is a conjugate acid of an estrone 3-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC24H30O8
Molecular weight446.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyFJAZVHYPASAQKM-JBAURARKSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=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)