Pregnanetriol 3alpha-O-beta-D-Glucuronide

cas: 74915-85-8 — see every product listed under this CAS number, including other names

Pregnanetriol 3alpha-O-beta-D-Glucuronide (CAS 74915-85-8) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-P705170-250MG
cas74915-85-8
size250mg
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(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(10S,13S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-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 74915-85-8) is a chemical compound with the molecular formula C27H44O9 and a molecular weight of 512.6 g/mol. IUPAC name: (2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(10S,13S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-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: DUXHVCKABSGLJH-OPVTUZOVSA-N.

Identity
Molecular formulaC27H44O9
Molecular weight512.6 g/mol
IUPAC name(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-[[(10S,13S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-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
InChIKeyDUXHVCKABSGLJH-OPVTUZOVSA-N
SMILESC[C@@H]([C@]1(CCC2[C@@]1(CCC3C2CCC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: Pregnane-3,17,20-triol-3-glucuronide, beta-D-Glucopyranosiduronic acid, (3alpha,5beta,20S)-17,20-dihydroxypregnan-3-yl, 17,20-Dihydroxypregnan-3-yl hexopyranosiduronic acid, (8xi,9xi,14xi,20S)-17,20-Dihydroxypregnan-3-yl beta-D-allopyranosiduronic acid

Also listed as

Pregnanetriol 3a-O-ß-D-Glucuronide Chemat Brand CAS 74915-85-8
Pregnanetriol 3a-O-b-D-glucuronide Biosynth CAS 74915-85-8