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Ursodeoxycholic Acid Impurity 1

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Ursodeoxycholic Acid Impurity 1

Impurity

CAS Number

859-97-2

Molecular Formula

C24H36O4

Product format

Neat

Molecular Weight

388.55

API Family

Ursodeoxycholic Acid (Ursodiol)

Synonyms

3, 7-Dioxo-5beta-cholanoic acid; 859-97-2; DTXSID701033867; RefChem:1066158; DTXCID501518633; (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]pentanoic acid; 3, 7-Dioxo-5beta-cholan-24-oic Acid; CHEMBL1254261; CCRIS 3988; 3, 7-Diketo-5beta-cholan-24-oic acid; (R)-4-((5S, 8R, 9S, 10S, 13R, 14S, 17R)-10, 13-dimethyl-3, 7-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; 3, 7-diketocholanic acid; 3, 7-Diketochenodeoxycholic acid; 3, 7-diketone; 3, 7-Diketo-CA; 5.beta.-Cholan-24-oic acid, 3, 7-dioxo-; Cholan-24-oic acid, 3, 7-dioxo-, (5.beta.)-; SCHEMBL966480; Chenodeoxycholic acid, dehydro-; 3 and 7-dioxo-5beta-cholanic acid

Iupac Name

(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 and 17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

InChI

InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,22+,23+,24-/m1/s1

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