Cholic Acid Impurity 89

cas: 62797-60-8 — see every product listed under this CAS number, including other names

Cholic Acid Impurity 89 (CAS 62797-60-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC57179
cas62797-60-8
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 62797-60-8) is a chemical compound with the molecular formula C24H38O3 and a molecular weight of 374.6 g/mol. IUPAC name: (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: NAQKYJIFPBOOOQ-SGYHMBJRSA-N.

Identity
Molecular formulaC24H38O3
Molecular weight374.6 g/mol
IUPAC name(4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyNAQKYJIFPBOOOQ-SGYHMBJRSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: 3alpha-Hydroxy-5beta-chol-9(11)-en-24-oic Acid, Ursodeoxycholic Acid Impurity 68, A)-3-hydroxychol-9(11)-en-24-oic acid
Isomers (same molecular formula)
(1S,2R,4S,6R,7S)-1,10,10-trimethyl-4-[[(1S,2R,4S,6R,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane C24H38O3
(1R,2S,4R,6S,7R)-1,10,10-trimethyl-4-[[(1R,2S,4R,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane C24H38O3
2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione C24H38O3
2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid C24H38O3
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-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 C24H38O3
[(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C24H38O3
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H38O3