3,7,12-Trihydroxycoprostanoic acid

cas: 547-98-8 — see every product listed under this CAS number, including other names

3,7,12-Trihydroxycoprostanoic acid (CAS 547-98-8) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 2mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberAAA54798-5mg
cas547-98-8
size5mg
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properties

categoryResearch Chemicals
sub-category 1Sourcing
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid is a steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a steroid acid. It is a conjugate acid of a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-). It derives from a hydride of a 5beta-cholestane.

Source: ChEBI

Identity
Molecular formulaC27H46O5
Molecular weight450.7 g/mol
IUPAC name(6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
InChIKeyCNWPIIOQKZNXBB-VCVMUKOKSA-N
SMILESC[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Coprocholic acid, 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid, Trihydroxycholestanoic acid, trihydroxycoprostanic acid, 3,7,12-trihydroxycholestan-26-oic acid, (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-oic acid, 3?,7?,12?-Trihydroxycoprostanic Acid, Coprocholate, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate, orb1692693
Isomers (same molecular formula)
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid C27H46O5
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C27H46O5

Also listed as

Trihydroxycoprostanic Acid Chemat Brand CAS 547-98-8
Trihydroxycoprostanic Acid (Mixture of Diastereomers) Chemat Brand CAS 547-98-8
Trihydroxycholestanoic Acid TargetMol CAS 547-98-8
Trihydroxycholestanoic Acid GLPBio CAS 547-98-8
Trihydroxycholestanoic acid, 99.48% MedChemExpress CAS 547-98-8