Products 338976-79-7

CAS 338976-79-7 appears in our catalog under these names: 3Alpha,7Alpha,12Alpha-Trihydroxycoprostanic Acid-d3, >95% (HPLC), Trihydroxycholestanoic acid–d3, Trihydroxycholestanoic acid-d3. Offered by: TRC, GLPBio, MedChemExpress. Available pack sizes: 0,5mg, 10mg, 1mg, 500μg, 500 μg.

3Alpha,7Alpha,12Alpha-Trihydroxycoprostanic Acid-d3, >95% (HPLC)
TRC
  • size: 0,5mg, 10mg, 1mg
  • Variants: 3
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Trihydroxycholestanoic acid–d3
GLPBio
  • size: 500μg
  • Variants: 1
from 2745.39
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Trihydroxycholestanoic acid-d3
MedChemExpress
  • size: 500 μg
  • Variants: 1
from 2771.72
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Structural formula: {0} (CAS {1})

(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 (CAS 338976-79-7) is a chemical compound with the molecular formula C27H46O5 and a molecular weight of 453.7 g/mol. IUPAC name: (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. InChIKey: CNWPIIOQKZNXBB-TZZZVGDOSA-N.

Identity
Molecular formulaC27H46O5
Molecular weight453.7 g/mol
IUPAC name(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
InChIKeyCNWPIIOQKZNXBB-TZZZVGDOSA-N
SMILES[2H]C([2H])([2H])C(CCC[C@@H](C)[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)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Coprocholic acid-d3, 3Alpha,7Alpha,12Alpha-Trihydroxycoprostanic Acid-d3, Trihydroxycholestanoic Acid-d3, 3a,7a,12a-Trihydroxycoprostanic Acid-d3, 3alpha,7alpha,12alpha-TrihydroxycoprostanicAcid-d3
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
(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
(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 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
2,6,13,16,19-pentaoxapentacyclo[18.4.4.47,12.01,20.07,12]dotriacontane C27H46O5
(2R,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