Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)-
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![Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/64e56941908a4414894bd8bcc07ea38a.png "Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)-")
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)-
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CAS No:
21059-40-5
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Formula:
C28H44O7
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Chemical Name:
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)-
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Synonyms:
Cholan-24-oic acid,3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-,methyl ester,(3α,5β,12α)-;5β-Cholan-24-oic acid,3α,12α-dihydroxy-7-oxo-,methyl ester,3-(ethyl carbonate);5β-Cholanic acid,3α,12α-dihydroxy-7-oxo-,methyl ester,3-(ethyl carbonate);Carbonic acid,ethyl ester,3-ester with methyl 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate;3α-Ethoxycarbonyloxy-7-oxo-12α-hydroxycholan-24-oic acid methyl ester;119302-73-7
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CAS No:
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-12-hydroxy-7-oxo-, methyl ester, (3α,5β,12α)- Basic Attributes
492.6 g/mol
492.64
244-183-7
Computed Properties
Molecular Weight:492.6
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:492.30870374
Monoisotopic Mass:492.30870374
Topological Polar Surface Area:99.1
Heavy Atom Count:35
Complexity:826
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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