(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
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(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
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CAS No:
10573-17-8
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Formula:
C24H38O4
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Chemical Name:
(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3-hydroxy-6-oxo-,(3α,5α)-;5α-Cholan-24-oic acid,3α-hydroxy-6-oxo-;5α-Cholanic acid,3α-hydroxy-6-oxo-;(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid;3α-Hydroxy-6-oxo-5α-cholanoic acid;3α-Hydroxy-6-oxo-5α-cholanic acid;3α-Hydroxy-6-keto-5α-cholanic acid;NSC 18168
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CAS No:
Characteristics
74.60000
4.68610
1.124g/cm3
189-190 °C @ Solvent: Ethyl acetate
545.9ºC at 760mmHg
298ºC
1.535
(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:390.6
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Monoisotopic Mass:390.27700969
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:645
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
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