Pregnanediol 3α-O-β-D-glucuronide

cas: 1852-49-9 — see every product listed under this CAS number, including other names

Pregnanediol 3α-O-β-D-glucuronide (CAS 1852-49-9) is a chemical reagent available from Chemat. Available pack sizes: 2mg, 1mg, 5mg, 25mg, 10mg. Offered by: Biosynth.

brandBiosynth
catalog numberMP16836-2mg
cas1852-49-9
size2mg
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properties

categoryCarbohydrates
sub-category 1Monosaccharides
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

Pregnanediol-3-glucuronide is a steroid glucosiduronic acid.

Source: ChEBI

Identity
Molecular formulaC27H44O8
Molecular weight496.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyZFFFJLDTCLJDHL-JQYCEVDMSA-N
SMILESC[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: pregnanediol-3 alpha-glucuronide, (3 alpha,5 beta,20S)-20-hydroxypregnan-3-yl beta-D-glucopyranosiduronic acid, Pregnanediol-3-glucuronide, Pregnanediol 3-Glucuronide, Pregnanediol glucuronide, Pregnanediol-3alpha-glucuronide, Pregnanediol 3alpha-monoglucuronide, 5beta-Pregnane-3alpha,20alpha-diol-3alpha-glucuronide, (3alpha,5beta,20S)-20-Hydroxypregnan-3-yl beta-D-glucopyranosiduronic acid, Pregnanediol 3a-O-b-D-glucuronide
Isomers (same molecular formula)
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O8
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one C27H44O8
(2S,3R,5S,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,5,11,14-pentahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one C27H44O8
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O8
(2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O8

Also listed as

Pregnanediol 3-O-Glucuronide Chemat Brand CAS 1852-49-9
Pregnanediol–3–Glucuronide GLPBio CAS 1852-49-9
Pregnanediol 3-glucuronide, 98.0% MedChemExpress CAS 1852-49-9