7-Keto-3alpha,12-alpha-dihydroxycholanic Acid

cas: 911-40-0 — see every product listed under this CAS number, including other names

7-Keto-3alpha,12-alpha-dihydroxycholanic Acid (CAS 911-40-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-K188480-100MG
cas911-40-0
size100mg
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3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid and a 7-oxo steroid. It is a conjugate acid of a 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate.

Source: ChEBI

Identity
Molecular formulaC24H38O5
Molecular weight406.6 g/mol
IUPAC name(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
InChIKeyRHCPKKNRWFXMAT-RRWYKFPJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 7-Ketodeoxycholic acid, 7-Oxodeoxycholic acid, 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid, 3alpha,12alpha-Diol-7-one-5beta-cholanoic acid, (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid, (3 alpha,5 beta,12 alpha)-3,12-dihydroxy-7-oxocholan-24-oic acid, 7-keto-Deoxycholic acid, 3a,12a-dihydroxy-7-oxo-5b-cholan-24-oic acid, 7-oxodeoxycholate, 7-Keto-DCA
Isomers (same molecular formula)
(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
(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
methyl (Z)-7-[(1R,2S,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate C24H38O5
(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 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

Cholic Acid Impurity 12 (7-Ketodeoxycholic Acid) Chemat Brand CAS 911-40-0
7-Keto-3a,12-a-dihydroxycholanic Acid TRC CAS 911-40-0
7-Keto-3α,12-α-dihydroxycholanic Acid TRC CAS 911-40-0
7–Ketodeoxycholic acid GLPBio CAS 911-40-0
7-keto-deoxycholic acid/ 98.76% (existing batch purity) TargetMol CAS 911-40-0
7-Keto-3α,12-α-dihydroxycholanic acid Biosynth CAS 911-40-0
7-keto-Deoxycholic acid 97% Ambeed CAS 911-40-0
(R)-4-((3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid, 97%, 97% Chemat CAS 911-40-0
7-keto-Deoxycholic acid, 99.71% MedChemExpress CAS 911-40-0
7-keto-Deoxycholic acid (Standard), 99.97% MedChemExpress CAS 911-40-0
7-keto-Deoxycholic acid Fluorochem CAS 911-40-0