12-Ketoursodeoxycholic Acid

cas: 81873-91-8 — see every product listed under this CAS number, including other names

12-Ketoursodeoxycholic Acid (CAS 81873-91-8) is a chemical reagent available from Chemat. Available pack sizes: on request, 2mg, 1mg, 5mg, 25mg, 10mg. Offered by: Chemat Brand, Biosynth.

brandChemat Brand
catalog numberULC5767
cas81873-91-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
Chemat Brand on request price on request
Chemat Brand on request price on request
Biosynth 2mg price on request
Biosynth 1mg price on request
Biosynth 5mg price on request
Biosynth 25mg price on request
Biosynth 10mg price on request

properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid that is ursodeoxycholic acid carrying an additional oxo substituent at position 12. It is an oxo-5beta-cholanic acid, a 7beta-hydroxy steroid, a 3alpha-hydroxy steroid and a 12-oxo steroid. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate.

Source: ChEBI

Identity
Molecular formulaC24H38O5
Molecular weight406.6 g/mol
IUPAC name(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyMIHNUBCEFJLAGN-RAEYQWLJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 12-ketoursodeoxycholic acid, 3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid, (3a,5ss,7ss)-3,7-Dihydroxy-12-oxo-cholan-24-oic Acid; SF 482, MIHNUBCEFJLAGN-RAEYQWLJSA-N, 12-keto-UDCA, 12-oxo-UDCA, 12-oxoursodeoxycholic acid, 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid, Ursodeoxycholic acid impurity 63, Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3alpha,5beta,7beta)-
Related forms of this compound
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O5
Isomers (same molecular formula)
(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O5
(4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O5
methyl (Z)-7-[(1R,2S,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate C24H38O5
[(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate C24H38O5
(4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O5
[2-[(5S,8R,9S,10S,13S,14S,16S,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H38O5

Also listed as

12-Ketoursodeoxycholic Acid, >95% (HPLC) TRC CAS 81873-91-8