3-Oxocholic acid
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3-Oxocholic acid
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CAS No:
2304-89-4
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Formula:
C24H38O5
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Chemical Name:
3-Oxocholic acid
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Synonyms:
Cholan-24-oic acid,7,12-dihydroxy-3-oxo-,(5β,7α,12α)-;5β-Cholan-24-oic acid,7α,12α-dihydroxy-3-oxo-;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;7α,12α-Dihydroxy-3-oxocholanic acid;7α,12α-Dihydroxy-3-oxo-5β-cholan-24-oic acid;3-Oxo-7α,12α-dihydroxycholan-24-oic acid;3-Oxo-7α,12α-dihydroxy-5β-cholanic acid;7α,12α-Dihydroxy-3-oxo-5β-cholanic acid;3-Oxocholic acid;3-keto-7α,12α-Dihydroxy-5β-cholanic acid;3-Oxo-7α,12α-dihydroxy-5β-cholanoic acid;7α,12α-Dihydroxy-3-oxo-5β-cholanoic acid;3-Ketocholic acid;3-Dehydrocholic acid;3-Oxo-7a,12a-dihydroxy-5b-cholanic acid;901129-84-8
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CAS No:
Description
3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3].
3-Oxocholic acid Use and Manufacturing
3-Oxo-7α,12α-hydroxy-5β-cholanoic Acid is a keto bile acid derivative.
Computed Properties
Molecular Weight:406.6
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:406.27192431
Monoisotopic Mass:406.27192431
Topological Polar Surface Area:94.8
Heavy Atom Count:29
Complexity:676
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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