7-Oxoisolithocholic Acid

cas: 67008-26-8 — see every product listed under this CAS number, including other names

7-Oxoisolithocholic Acid (CAS 67008-26-8) is a chemical reagent available from Chemat. Available pack sizes: 500mg. Offered by: TRC.

brandTRC
catalog numberTRC-O434360-500MG
cas67008-26-8
size500mg
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purityNo data
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Structural formula: {0} (CAS {1})

3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid is a monohydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy and oxo groups at positions 3 and 7 respectively. It is an oxo-5beta-cholanic acid and a monohydroxy-5beta-cholanic acid. It is a conjugate acid of a 3beta-hydroxy-7-oxo-5beta-cholan-24-oate.

Source: ChEBI

Identity
Molecular formulaC24H38O4
Molecular weight390.6 g/mol
IUPAC name(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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
InChIKeyDXOCDBGWDZAYRQ-QCXZXCEPSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[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: 3beta-Hydroxy-7-oxo-5beta-cholan-24-oic Acid, 7-Oxyisotithocholic Acid, 7-Oxoisolithocholic Acid, (3beta,5beta)-3-hydroxy-7-oxocholan-24-oic acid, Ursodeoxycholic Acid Impurity 42
Related forms of this compound
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 C24H38O4
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 C24H38O4
Isomers (same molecular formula)
dioctan-2-yl benzene-1,2-dicarboxylate C24H38O4
bis(2-ethylhexyl) benzene-1,3-dicarboxylate C24H38O4
dioctyl benzene-1,4-dicarboxylate C24H38O4
dioctyl benzene-1,2-dicarboxylate C24H38O4
bis(6-methylheptyl) benzene-1,2-dicarboxylate C24H38O4
bis(2-ethylhexyl) benzene-1,2-dicarboxylate C24H38O4
(4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-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 C24H38O4
(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 C24H38O4
bis(2-ethylhexyl) benzene-1,4-dicarboxylate C24H38O4
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 C24H38O4

Also listed as

Ursodeoxycholic Acid Impurity 42 Chemat Brand CAS 67008-26-8