7,12-Diketolithocholic acid, 98%

cas: 517-33-9 — see every product listed under this CAS number, including other names

7,12-Diketolithocholic acid, 98% (CAS 517-33-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: Fluorochem.

brandFluorochem
catalog numberF568766-5MG
cas517-33-9
size5mg
availability In Stock China
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Fluorochem 5mg 700.81 Pln
Fluorochem 10mg 1216.26 Pln
Fluorochem 25mg 2622.01 Pln
Fluorochem 50mg 4631.72 Pln
Fluorochem 100mg 7677.52 Pln
Fluorochem 250mg 13014.19 Pln

properties

purity98%
dual useNo
currencyEUR
delivery time2-3 weeks
categoryOdczynniki chemiczne
Structural formula: {0} (CAS {1})

7,12-dioxolithocholic acid is a bile acid that is lithocholic acid carrying two additional oxo substituents at positions 7 and 12. It has a role as a bacterial metabolite. It is an oxo-5beta-cholanic acid, a bile acid, a monohydroxy-5beta-cholanic acid, a 3alpha-hydroxy steroid, a 7-oxo steroid and a 12-oxo steroid. It is functionally related to a lithocholic acid. It is a conjugate acid of a 7,12-dioxolithocholate.

Source: ChEBI

Identity
Molecular formulaC24H36O5
Molecular weight404.5 g/mol
IUPAC name(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyMAFJMPFLJJCSTB-FQBQTYDJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxy-7,12-diketocholanoic acid, Reductodehydrocholic acid, 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid, 3 alpha-hydroxy-7,12-diketo-5 beta-cholanoic acid, 7,12-Diketolithocholic acid, 7,12-Dioxolithocholic acid, 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid, 7,12-Diketo-LCA, 3alpha-OH-7,12-diketo-CA, orb2283247
Isomers (same molecular formula)
[(1S,2R,3S,4S,6R,7R,8R,14R)-3-acetyloxy-4-ethenyl-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] acetate C24H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-methylbutanoate C24H36O5
methyl 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetate C24H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C24H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-(trideuteriomethyl)butanoate C24H36O5
(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 C24H36O5
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C24H36O5
(4R)-4-[(5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-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 C24H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C24H36O5
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6,7-dioxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-(trideuteriomethyl)butanoate C24H36O5
[2-[(5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H36O5

Also listed as

3-Hydroxy-7,12-diketocholanoic acid Chemat Brand CAS 517-33-9
Cholic Acid Impurity 18 (3-alpha-Hydroxy-7,12-diketo-5-beta-cholan-24-oic acid) Chemat Brand CAS 517-33-9
3-Hydroxy-7,12-diketocholanoic Acid, >95% (HPLC) TRC CAS 517-33-9
Reductodehydrocholic acid, 98%, 98% Chemat CAS 517-33-9
7,12-Diketolithocholic acid, 99.93% MedChemExpress CAS 517-33-9

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