Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
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Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
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CAS No:
10538-59-7
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Formula:
C25H40O4
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Chemical Name:
Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
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Synonyms:
Cholan-24-oic acid,3-hydroxy-7-oxo-,methyl ester,(3α,5β)-;5β-Cholanic acid,3α-hydroxy-7-oxo-,methyl ester;5β-Cholan-24-oic acid,3α-hydroxy-7-oxo-,methyl ester;Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate;Methyl 7-keto-3α-hydroxy-5β-cholanoate;Methyl 3α-hydroxy-7-oxo-5β-cholan-24-oate;Methyl 3α-hydroxy-7-oxo-5β-cholanoate;7-Ketolithocholic acid methyl ester;Methyl 3α-hydroxy-7-keto-5β-cholanate;3α-Hydroxy-7-oxo-5β-cholan-24-oic acid methyl ester
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CAS No:
Computed Properties
Molecular Weight:404.6
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.29265975
Monoisotopic Mass:404.29265975
Topological Polar Surface Area:63.6
Heavy Atom Count:29
Complexity:659
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
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