(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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![(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b900829810474b7981587cade3c328ae.png "(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid")
(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
structure -
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CAS No:
124729-57-3
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Formula:
C26H44O4
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Chemical Name:
(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
3,7-dihydroxy-7-ethylcholanoic acid;7-EtCDC;7-ethyl-chenodeoxycholic acid;7-ethyl-ursodeoxycholic acid;7-EtUDC;DTXSID60924915;124729-57-3;7-Ethyl-3,7-dihydroxycholan-24-oic acid
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CAS No:
(4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
420.6 g/mol
420.32395988 g/mol
Computed Properties
Molecular Weight:420.6
XLogP3:5.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:420.32395988
Monoisotopic Mass:420.32395988
Topological Polar Surface Area:77.8
Heavy Atom Count:30
Complexity:663
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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