2-Methoxyestrone 3-glucuronide

cas: 25577-70-2 — see every product listed under this CAS number, including other names

2-Methoxyestrone 3-glucuronide (CAS 25577-70-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-180680-Get quote
cas25577-70-2
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Structural formula: {0} (CAS {1})

2-methoxyestrone 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 2-methoxyestrone having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a mouse metabolite. It is a beta-D-glucosiduronic acid, a 17-oxo steroid, a steroid glucosiduronic acid and an aromatic ether. It is functionally related to a 2-methoxyestrone. It is a conjugate acid of a 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-).

Source: ChEBI

Identity
Molecular formulaC25H32O9
Molecular weight476.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyNZTHZDNDYACBSX-FJNWEKAQSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)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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