Products 77060-26-5

CAS 77060-26-5 appears in our catalog under these names: Ursodeoxycholic Acid Impurity 49, 3-Oxo-7Beta-hydroxy-5Beta-cholanoic Acid, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 1g.

Ursodeoxycholic Acid Impurity 49
Chemat Brand
  • size: on request
  • Variants: 1
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3-Oxo-7Beta-hydroxy-5Beta-cholanoic Acid, >95% (HPLC)
TRC
  • size: 100mg, 1g
  • Variants: 2
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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 (CAS 77060-26-5) is a chemical compound with the molecular formula C25H38O4 and a molecular weight of 402.6 g/mol. IUPAC name: 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. InChIKey: UZRRNRRCPZZPNY-UHFFFAOYSA-N.

Identity
Molecular formulaC25H38O4
Molecular weight402.6 g/mol
IUPAC namemethyl 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
InChIKeyUZRRNRRCPZZPNY-UHFFFAOYSA-N
SMILESCC(CCC(=O)OC)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(=O)C4)C)C

Computed by PubChem (NCBI)

Synonyms: Methyl 5-beta-cholan-3,7-dione-24-oate, Methyl 5-.beta.-cholan-3,7-dione-24-oate, Methyl 3,7-dioxocholan-24-oate, Urosodeoxycholic Acid EP Impurity Q, 5beta-Cholanic acid-3,7-dione methyl ester, Cholan-24-oic acid,7-hydroxy-3-oxo-, (5b,7b)-, SureCN3219278, 5|A-Cholanic acid 3,7-dione methyl ester, 7753-72-2
Related forms of this compound
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
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 (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 C25H38O4
2,3-dihydroxypropyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate C25H38O4