Structural formula of 12-keto-Chenodeoxycholic Acid

12-keto-Chenodeoxycholic Acid

Product number: 65-1112
CAS number: 2458-08-4
Synonyms: 3α,7α-Dihydroxy-12-oxocholic acid, 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic acid, 12-Oxo-3α,7α-dihydroxy-5β-cholan-24-oic acid, 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, 3α,7α-Dihydroxy-12-keto-5β-cholanic acid, 12-Ketochenodeoxycholic acid, 3α,7α-Dihydroxy-12-oxo-5β-cholanic acid, 3α,7α-Dihydroxy-12-oxo-5β-cholanoic acid, 12-Oxocholic acid, 12-Ketocholic acid, 12-Oxochenodeoxycholic acid, 5β-Cholanic acid-3α,7α-diol-12-one, 3α,7α-Dihydroxy-12-oxo-5β-cholan-24-oic acid, 12-keto-Chenodeoxycholic acid, 3α,7α-Dihydroxy-12-ketocholic acid, 3α,7α-Dihydroxy-12-ketocholanic acid, 12-Keto-3α,7α-dihydroxy-5β-cholanic acid

Identifiers

CAS Index Name: Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3α,5β,7α)-
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/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1
InChIKey: InChIKey=MIHNUBCEFJLAGN-DMMBONCOSA-N

Product information

Purity: >99%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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65-1112-412-keto-Chenodeoxycholic Acid - 5 mg397.00 €