3-Oxo-7-hydroxychol-4-enoic acid

cas: 14772-95-3 — see every product listed under this CAS number, including other names

3-Oxo-7-hydroxychol-4-enoic acid (CAS 14772-95-3) is a chemical reagent available from Chemat. Available pack sizes: 2mg. Offered by: TargetMol.

brandTargetMol
catalog numberT75703-2mg
cas14772-95-3
size2mg
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Available pack sizes

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TargetMol 2mg 2551.15 Pln

properties

purityNo data
delivery timeapprox. 26 days
Structural formula: {0} (CAS {1})

7alpha-hydroxy-3-oxochol-4-en-24-oic acid is a 3-oxo 4-steroid that is 3-oxochol-4-en-24-oic acid carrying an additional 7alpha-hydroxy substituent. It has a role as a human urinary metabolite. It is a bile acid, a 7alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and a cholenoic acid. It is functionally related to a 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid. It is a conjugate acid of a 7alpha-hydroxy-3-oxochol-4-en-24-oate.

Source: ChEBI

Identity
Molecular formulaC24H36O4
Molecular weight388.5 g/mol
IUPAC name(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
InChIKeyCFLVYJJIZHNITM-NLXMLWGDSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C

Computed by PubChem (NCBI)

Synonyms: 3-Oxo-7-hydroxychol-4-enoic acid, 7-HOC acid, 3-Oxo-7alpha-hydroxychol-4-enoic acid, (7alpha)-7-Hydroxy-3-oxochol-4-en-24-oic acid, 7alpha-Hydroxy-3-oxo-4-cholen-24-oic acid, 3-oxo-7 alpha-Hydroxychol-4-enoic acid, (7 alpha)-7-hydroxy-3-oxochol-4-en-24-oic acid, 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid, 7alpha-Hydroxy-3-oxo-chol-4-en-24-oic Acid, Chol-4-en-24-oic acid, 7-hydroxy-3-oxo-, (7alpha)-
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-[(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 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
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H36O4
(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H36O4

Also listed as

3–Oxo–7–hydroxychol–4–enoic acid GLPBio CAS 14772-95-3
3-Oxo-7-hydroxychol-4-enoic acid, 98.58% MedChemExpress CAS 14772-95-3
3-Oxo-7-hydroxychol-4-enoic acid (Standard) MedChemExpress CAS 14772-95-3
7alpha-Hydroxy-3-oxo-chol-4-en-24-oic Acid, >95% (HPLC) TRC CAS 14772-95-3
7α-Hydroxy-3-oxo-4-cholen-24-oic acid, 98%, 98% Chemat CAS 14772-95-3