Products 78608-74-9

CAS 78608-74-9 is the registry number for (3Beta,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxy-cholestan-26-oic Acid, >95% (HPLC). Offered by: TRC. Available pack sizes: 2,5mg.

(3Beta,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxy-cholestan-26-oic Acid, >95% (HPLC)
TRC
  • size: 2,5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

3beta,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oic acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC27H46O5
Molecular weight450.7 g/mol
IUPAC name(6R)-2-methyl-6-[(3S,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-XTZASNGSSA-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: 3beta,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oic acid, (3|A,5|A,7|A,12|A)-3,7,12-Trihydroxy-cholestan-26-oic Acid, Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3I(2),5I(2),7I+/-,12I+/-)-
Related forms of this compound
(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 C27H46O5
(6R)-2-(trideuteriomethyl)-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 C27H46O5
(2R,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 C27H46O5
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