Products 56162-40-4

CAS 56162-40-4 appears in our catalog under these names: Tetrahydro-11-deoxy Cortisol 3-O-beta-D-Glucuronide, Tetrahydro-11-deoxy cortisol 3-O-β-D-glucuronide, Tetrahydro-11-deoxy Cortisol 3-O-ß-D-Glucuronide-d5. Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 250mg, 20mg, 10mg.

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

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid (CAS 56162-40-4) is a chemical compound with the molecular formula C27H42O10 and a molecular weight of 526.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid. InChIKey: GAIOPZSMDANHBK-JVMSDKPCSA-N.

Identity
Molecular formulaC27H42O10
Molecular weight526.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyGAIOPZSMDANHBK-JVMSDKPCSA-N
SMILESC[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2CC[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)