(4R)-4-[(8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-7-propyl-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)-3,7-dihydroxy-10,13-dimethyl-7-propyl-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/20220812/3fd7973d68af465da1698b7fcb8060ef.png "(4R)-4-[(8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-7-propyl-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)-3,7-dihydroxy-10,13-dimethyl-7-propyl-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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CAS No:
124729-58-4
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Formula:
C27H46O4
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Chemical Name:
(4R)-4-[(8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-7-propyl-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-n-propylcholanoic acid;7-n-propyl-chenodeoxycholic acid;7-n-propylursodeoxycholic acid;7-prCDC;7-prUDC;DTXSID20924916;124729-58-4;3,7-Dihydroxy-7-propylcholan-24-oic acid
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CAS No:
(4R)-4-[(8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-7-propyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
434.7 g/mol
434.33960994 g/mol
Computed Properties
Molecular Weight:434.7
XLogP3:6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:434.33960994
Monoisotopic Mass:434.33960994
Topological Polar Surface Area:77.8
Heavy Atom Count:31
Complexity:678
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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