3-Oxo-4,6-choladien-24-oic acid

cas: 88179-71-9 — see every product listed under this CAS number, including other names

3-Oxo-4,6-choladien-24-oic acid (CAS 88179-71-9) is a chemical reagent available from Chemat. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberNDA17971-2mg
cas88179-71-9
size2mg
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properties

categoryControlled Products
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

3-oxochola-4,6-dien-24-oic acid is a 3-oxo 4-steroid that is the 3-oxo derivative of chola-4,6-dien-24-oic acid. It has a role as a human metabolite. It is a bile acid and a 3-oxo-Delta(4) steroid. It is functionally related to a chola-4,6-dien-24-oic acid. It is a conjugate acid of a 3-oxochola-4,6-dien-24-oate.

Source: ChEBI

Identity
Molecular formulaC24H34O3
Molecular weight370.5 g/mol
IUPAC name(4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyCREVIXFSUWYGRJ-IHMUCKAYSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C

Computed by PubChem (NCBI)

Synonyms: 3-Oxochola-4,6-dien-24-oic Acid, 3-Oxo-4,6-choladienoic acid, 3-Oxo-4,6-choladienoate, Chola-4,6-dien-24-oic acid, 3-oxo-, 3-Oxo-4,6-choladien-24-oate, 3-Oxo-4,6-choladien-24-oic acid, 3-oxo-chola-4,6-dien-24-oic acid, Chola-4,6-dien-24-oicacid, 3-oxo-, 3-oxo-4,6-choldienoic acid
Isomers (same molecular formula)
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate C24H34O3
[(8R,9S,13S,14S,17S)-3-hydroxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate C24H34O3
1-[(8S,13S,14S,17S)-13,17-dimethylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]propan-1-one C24H34O3
(8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C24H34O3
(8R,9S,13S,14S)-2-tert-butyl-3-hydroxy-4-(methoxymethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C24H34O3
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-15-hydroxy-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-en-7-one C24H34O3
2-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane C24H34O3
[(3S,8R,9S,10R,13S,14S)-17-acetyl-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C24H34O3
2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid C24H34O3
[(1S,2S,4aS,10aR)-2-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl cyclopropanecarboxylate C24H34O3

Also listed as

3-Oxo-4,6-choladien-24-oic Acid, >95% (HPLC) TRC CAS 88179-71-9
3–Oxo–4,6–choladien–24–oic acid GLPBio CAS 88179-71-9
3-Oxo-4,6-choladien-24-oic acid, 97%, 97% Chemat CAS 88179-71-9
3-Oxo-4,6-choladien-24-oic acid (Standard) MedChemExpress CAS 88179-71-9
3-Oxo-4,6-choladien-24-oic acid, 99.08% MedChemExpress CAS 88179-71-9
3-Oxo-4,6-choladien-24-oic acid, 97% Fluorochem CAS 88179-71-9