Structural formula of 3-keto-Chenodeoxycholic Acid

3-keto-Chenodeoxycholic Acid

Product number: 65-1113
CAS number: 4185-00-6
Synonyms: 3-Oxochenodeoxycholic acid, 7α-Hydroxy-3-oxo-5β-cholanoic acid, 5β-Cholan-24-oic acid, 7α-hydroxy-3-oxo-, (5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid, 5β-Cholanic acid, 7α-hydroxy-3-oxo-, 3-keto-7α-Hydroxy-5β-cholanic acid, 3-Oxo-7α-hydroxy-5β-cholanic acid, 7α-Hydroxy-3-oxo-5β-cholan-24-oic acid, 3-Oxo-7α-hydroxycholan-24-oic acid, 7α-Hydroxy-3-oxo-5β-cholanic acid

Identifiers

CAS Index Name: Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5β,7α)-
Molecular formula: C24H38O4
Molecular weight: 390.56
Smiles: O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C
Isomeric Smiles: CC12C(C3(C(C4(C)C(CC3O)(CC(=O)CC4)[H])(CC1)[H])[H])(CCC2(C(CCC(O)=O)C)[H])[H]
InChI: InChI=1S/C24H38O4/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/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey: InChIKey=KNVADAPHVNKTEP-CIGXQKLNSA-N

Product information

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

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65-1113-53-keto-Chenodeoxycholic Acid - 10 mg414.00 €