Methyl (5β,7α)-7-(acetyloxy)-3,12-dioxocholan-24-oate
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Methyl (5β,7α)-7-(acetyloxy)-3,12-dioxocholan-24-oate
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CAS No:
60354-42-9
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Formula:
C27H40O6
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Chemical Name:
Methyl (5β,7α)-7-(acetyloxy)-3,12-dioxocholan-24-oate
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Synonyms:
Cholan-24-oic acid,7-(acetyloxy)-3,12-dioxo-,methyl ester,(5β,7α)-;5β-Cholanic acid,7α-hydroxy-3,12-dioxo-,methyl ester,acetate;Methyl (5β,7α)-7-(acetyloxy)-3,12-dioxocholan-24-oate
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CAS No:
Computed Properties
Molecular Weight:460.6
XLogP3:3.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:460.28248899
Monoisotopic Mass:460.28248899
Topological Polar Surface Area:86.7
Heavy Atom Count:33
Complexity:835
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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