Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)-
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![Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f2d29981f4de4ffeac126560d9a6b7ca.png "Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)-")
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)-
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CAS No:
21059-42-7
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Formula:
C28H42O7
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Chemical Name:
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)-
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Synonyms:
Cholan-24-oic acid,3-[(ethoxycarbonyl)oxy]-7,12-dioxo-,methyl ester,(3α,5β)-;5β-Cholan-24-oic acid,3α-hydroxy-7,12-dioxo-,methyl ester,ethyl carbonate;5β-Cholanic acid,3α-hydroxy-7,12-dioxo-,methyl ester,ethyl carbonate;3α-Ethoxycarbonyloxy-7,12-diketo-5β-cholan-24-oic acid methyl ester;119302-75-9
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CAS No:
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dioxo-, methyl ester, (3α,5β)- Basic Attributes
490.6 g/mol
490.63
244-184-2
Safety Information
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:490.6
XLogP3:4.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:490.29305367
Monoisotopic Mass:490.29305367
Topological Polar Surface Area:96
Heavy Atom Count:35
Complexity:867
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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