Tetrahydroaldosterone 3beta-glucosiduronic acid

cas: 20605-81-6 — see every product listed under this CAS number, including other names

Tetrahydroaldosterone 3beta-glucosiduronic acid (CAS 20605-81-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-T052501
cas20605-81-6
sizeon request
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Structural formula: {0} (CAS {1})

Tetrahydroaldosterone-3-glucuronide is a steroid glucosiduronic acid.

Source: ChEBI

Identity
Molecular formulaC27H40O11
Molecular weight540.6 g/mol
IUPAC name(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-yl]oxy]oxane-2-carboxylic acid
InChIKeyCGIURIOFMWUPSV-RUQPETGGSA-N
SMILESC[C@]12CCC(CC1CCC3C2[C@@H]4CC5(C3CC[C@@H]5C(=O)CO)C(O4)O)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 18,21-Dihydroxy-20-oxo-11,18-epoxypregnan-3-yl hexopyranosiduronic acid, Tetrahydroaldosterone-3-glucuronide, Tetrahydroaldosterone 3beta-glucosiduronic acid, TA-GA, Tetrahydroaldosterone 3 Beta-glucosiduronic Acid, Tetrahydroaldosterone-3-glucuronoside
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C27H40O11
[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate C27H40O11