2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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![2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cff049b8532e4ea28cbdd03f909ef833.png "2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid")
2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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CAS No:
67460-70-2
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Formula:
C26H43NO7S
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Chemical Name:
2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
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Synonyms:
tauro-3 alpha,7 alpha-dihydroxy-12-keto-5 beta-cholanoic acid;tauro-3,7-dihydroxy-12-ketocholanoic acid;67460-70-2;DTXSID40986733;Tauro-3,7-dihydroxy-12-ketocholanoic acid;Tauro-3alpha,7alpha-dihydroxy-12-keto-5beta-cholanoic acid;3,7-Dihydroxy-12-oxo-N-(2-sulfoethyl)cholan-24-imidic acid;2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-12,24-dioxocholan-24-yl)amino)-
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CAS No:
2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid Basic Attributes
513.7 g/mol
513.27602388 g/mol
Computed Properties
Molecular Weight:513.7
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:513.27602388
Monoisotopic Mass:513.27602388
Topological Polar Surface Area:149
Heavy Atom Count:35
Complexity:933
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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