3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid (Cholic Acid)

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For Research Use Only | Not For Clinical Use
CATAPS81254A
CAS81-25-4
Structure
Synonyms3α,7α,12α-Trihydroxy-5β-cholanoic acid,Cholic Acid, 3α,7α,12α-Trihydroxy-5β-cholanic acid, E 1000, (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid, NSC-6135, 3α,7α,12α-Trihydroxycholanic acid, 5β-Cholanic acid-3α,7α,12α-triol, 5β-Cholic acid, Cholalin, Colalin, Cholic acid, 17β-[1-Methyl-3-carboxypropyl]etiocholane-3α,7α,12α-triol, 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid, Cholalic acid, 3α,7α,12α-Trihydroxy-β-cholanic acid
IUPAC Name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Weight408.57
Molecular FormulaC24H40O5
Canonical SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIInChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Accurate Mass408.2876
API FamilyMatrix - API Family Chenodeoxycholic Acid; Cholic Acid; Ursodeoxycholic Acid (Ursodiol); Glycocholic Acid
FormatNeat
Product TypeAPI/ Impurity
ShippingRoom Temperature
Size250MG
Storage Conditions+5°C
SubcategorySteroids and derivatives, API standards, Impurity standards
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