Structural formula of 3-Oxocholic Acid

3-Oxocholic Acid

Product number: 65-1103
CAS number: 2304-89-4
Synonyms: 5β-Cholan-24-oic acid, 7α,12α-dihydroxy-3-oxo-, 7α,12α-Dihydroxy-3-oxo-5β-cholanoic acid, 7α,12α-Dihydroxy-3-oxo-5β-cholan-24-oic acid, 3-Oxo-7a,12a-dihydroxy-5b-cholanic acid, 7α,12α-Dihydroxy-3-oxo-5β-cholanic acid, 7α,12α-Dihydroxy-3-oxocholanic acid, 3-Oxo-7α,12α-dihydroxycholan-24-oic acid, 3-keto-7α,12α-Dihydroxy-5β-cholanic acid, 5β-Cholanic acid, 7α,12α-dihydroxy-3-oxo-, (5β,7α,12α)-7,12-Dihydroxy-3-oxocholan-24-oic acid, 7α,12α-Dihydroxy-3-keto-5β-cholanic acid, 3-Ketocholic acid, 3-Oxocholic acid, 3-Oxo-7α,12α-dihydroxy-5β-cholanic acid, 3-Dehydrocholic acid, 3-Oxo-7α,12α-dihydroxy-5β-cholanoic acid

Identifiers

CAS Index Name: Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, (5β,7α,12α)-
Molecular formula: C24H38O5
Molecular weight: 406.56
Smiles: O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: OC1C2(C3(C(C)(C(C(CCC(O)=O)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(CC(=O)CC4)[H])[H])[H])[H]
InChI: InChI=1S/C24H38O5/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/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey: InChIKey=OEKUSRBIIZNLHZ-DJDNIQJZSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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65-1103-53-Oxocholic Acid - 10 mg47.00 €