Products 131061-62-6

CAS 131061-62-6 appears in our catalog under these names: Allo-3alpha-tetrahydro Cortisol 21-O-beta-D-Glucuronide, Allo-3a-tetrahydro cortisol 21-O-b-D-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 100mg, 2mg, 1mg, 5mg, 10mg, 25mg.

Allo-3alpha-tetrahydro Cortisol 21-O-beta-D-Glucuronide
TRC
  • size: 100mg
  • Variants: 1
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Allo-3a-tetrahydro cortisol 21-O-b-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(3R,5S,8S,10S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]oxane-2-carboxylic acid (CAS 131061-62-6) is a chemical compound with the molecular formula C27H42O11 and a molecular weight of 542.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(3R,5S,8S,10S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]oxane-2-carboxylic acid. InChIKey: MTWBRGYEFAXTHE-SHHSTTTJSA-N.

Identity
Molecular formulaC27H42O11
Molecular weight542.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(3R,5S,8S,10S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]oxane-2-carboxylic acid
InChIKeyMTWBRGYEFAXTHE-SHHSTTTJSA-N
SMILESC[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2C(C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: allo-Tetrahydrocortisol 21-Glucuronide, Allo-3?-tetrahydro Cortisol 21-O-?-D-Glucuronide, Allo-3alpha-tetrahydro Cortisol 21-O-beta-D-Glucuronide, Allo-3a-tetrahydro Cortisol 21-O-b-D-Glucuronide, (3a,5a,11b)-3,11,17-Trihydroxy-20-oxopregnan-21-yl b-D-glucopyranosiduronic acid