Products 65065-56-7

CAS 65065-56-7 is the registry number for Cholic Acid Impurity 86. Offered by: Chemat Brand. Available pack sizes: on request.

Cholic Acid Impurity 86
Chemat Brand
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  • Variants: 1
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Methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 65065-56-7) is a chemical compound with the molecular formula C25H38O4 and a molecular weight of 402.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: OFUOIZWAZDUXAZ-WPYIARLMSA-N.

Identity
Molecular formulaC25H38O4
Molecular weight402.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyOFUOIZWAZDUXAZ-WPYIARLMSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: Deoxycholic Acid Impurity 39, OFUOIZWAZDUXAZ-WPYIARLMSA-N, Methyl 3alpha-hydroxy-5beta-chol-9(11)-en-12-one-24-oate, 9(11), (5beta)-CHOLENIC ACID-3alpha-OL-12-ONE METHYL ESTER
Isomers (same molecular formula)
(1R,3S,4R,7S,8E,11R,12S)-4,12-dihydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde C25H38O4
methyl 4-(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)pentanoate C25H38O4
2,3-dihydroxypropyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate C25H38O4
methyl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-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]pentanoate C25H38O4