Products 2458-08-4

CAS 2458-08-4 appears in our catalog under these names: Chenodeoxycholic Acid EP Impurity H (12-Oxochenodeoxycholic Acid), Ursodeoxycholic Acid Impurity 23, Chenodeoxycholic Acid Impurity 10, 12-Ketochenodeoxycholic acid, 98%, 98%, 12-Ketochenodeoxycholic acid (Standard). Offered by: Chemat Brand, Hubei YoungXin, Chemat, MedChemExpress. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, Get quote, 100 mg.

Chenodeoxycholic Acid EP Impurity H (12-Oxochenodeoxycholic Acid)
Chemat Brand
  • size: on request
  • Variants: 1
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Ursodeoxycholic Acid Impurity 23
Chemat Brand
  • size: on request
  • Variants: 1
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Chenodeoxycholic Acid Impurity 10
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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12-Ketochenodeoxycholic acid, 98%, 98%
Chemat
  • size: 100mg
  • Variants: 1
from 1754.00
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12-Ketochenodeoxycholic acid (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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12-Ketochenodeoxycholic acid, 99.83%
MedChemExpress
  • size: 100 mg, 50 mg, 10 mg, 5 mg
  • Variants: 6
from 765.52
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3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid. It is a conjugate acid of a 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate.

Source: ChEBI

Identity
Molecular formulaC24H38O5
Molecular weight406.6 g/mol
IUPAC name(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
InChIKeyMIHNUBCEFJLAGN-DMMBONCOSA-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-Ketochenodeoxycholic acid, 3,7-Dihydroxy-12-oxocholanoic acid, 12-Oxochenodeoxycholic acid, 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic acid, 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid, Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3 alpha,5 beta,7 alpha)-, 12-Monoketocholic acid, 12-oxo-3,7-Dihydroxycholanoic acid, 3alpha,7alpha-Dihydroxy-12-keto-5beta-cholanoic acid, 3 alpha,7 alpha-Dihydroxy-12-keto-5 beta-cholanoic acid
Related forms of this compound
(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
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