Estrone 3-glucuronide

cas: 2479-90-5 — see every product listed under this CAS number, including other names

Estrone 3-glucuronide (CAS 2479-90-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-113157-Get quote
cas2479-90-5
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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)

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