Products 26312-91-4

CAS 26312-91-4 is the registry number for Tetrahydrocortisone 3-Glucuronide. Offered by: TRC. Available pack sizes: 50mg.

Tetrahydrocortisone 3-Glucuronide
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 26312-91-4) is a chemical compound with the molecular formula C27H40O11 and a molecular weight of 540.6 g/mol. IUPAC name: (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. InChIKey: QUOCEDQXFGCYTL-WPIYVXEUSA-N.

Identity
Molecular formulaC27H40O11
Molecular weight540.6 g/mol
IUPAC name(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
InChIKeyQUOCEDQXFGCYTL-WPIYVXEUSA-N
SMILESC[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: tetrahydrocortisone 3-(beta-d-glucuronide), Tetrahydrocortisone 3-Glucuronide
Isomers (same molecular formula)
(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 C27H40O11