Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
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Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
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CAS No:
10538-58-6
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Formula:
C25H40O4
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Chemical Name:
Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
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Synonyms:
Cholan-24-oic acid,12-hydroxy-3-oxo-,methyl ester,(5β,12α)-;5β-Cholan-24-oic acid,12α-hydroxy-3-oxo-,methyl ester;5β-Cholanic acid,12α-hydroxy-3-oxo-,methyl ester;Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate;Methyl-3-keto-12α-hydroxy-5β-cholanoate;Methyl 12α-hydroxy-3-oxo-5β-cholanate
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CAS No:
Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate Basic Attributes
404.6 g/mol
404.58
234-115-4
SAO85TC57K
Computed Properties
Molecular Weight:404.6
XLogP3:4.8
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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