Products 2958-05-6

CAS 2958-05-6 appears in our catalog under these names: Chenodeoxycholic Acid Impurity 11, 3,12-Diketo-5Beta-cholanoic Acid, >95% (HPLC), 3,12-Diketo-5b-cholanoic Acid, >95% (HPLC), (5β)-3,12-Dioxocholan-24-oic acid. Offered by: Hubei YoungXin, TRC, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 500mg, Get quote.

Chenodeoxycholic Acid Impurity 11
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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3,12-Diketo-5Beta-cholanoic Acid, >95% (HPLC)
TRC
  • size: 100mg, 10mg
  • Variants: 2
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3,12-Diketo-5b-cholanoic Acid, >95% (HPLC)
TRC
  • size: 500mg
  • Variants: 1
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(5β)-3,12-Dioxocholan-24-oic acid
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

3,12-Diketocholanic acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC24H36O4
Molecular weight388.5 g/mol
IUPAC name(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyXNTYYYINMGRBQW-ZEZONBOOSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

Computed by PubChem (NCBI)

Synonyms: Dehydrodeoxycholic acid, Cholic acid, dehydrodeoxy-, (5beta)-3,12-Dioxocholan-24-oic acid, 3,12-dioxo-5 beta-cholan-24-oic acid, dioxo-DCA, 3,12-Dioxo-5beta-cholan-24-oic Acid, 3,12-Dioxo-5-beta-cholan-24-oic acid, 3,12-Diketo-5b-cholanoic Acid, 3,12-Diketo-5beta-cholanic acid, 3,12-Dioxo-5beta-cholanoic acid
Isomers (same molecular formula)
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H36O4
(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5,15-dihydroxy-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-7-one C24H36O4
(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid C24H36O4
[(5S,6S,8R,9S,10S,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H36O4
[(5R,6S,8R,9S,10S,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H36O4
(4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H36O4
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C24H36O4
(1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',5,7-triol C24H36O4
7-[2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid C24H36O4