(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid
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![(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/77a2148ef81a4d6aa1ffde45a3c6d7d6.png "(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid")
(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid
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CAS No:
139265-35-3
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Formula:
C23H38O5
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Chemical Name:
(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid
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Synonyms:
3-(3 alpha, 7 beta, 12 alpha-trihydroxy-5 beta, 17 beta-androstan-17-yl)butanoic acid;norursocholic acid;Norursocholic acid;3-(3alpha,7beta,12alpha-Trihydroxy-5beta,17beta-androstan-17-yl)butanoic acid;(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid;139265-35-3;24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7beta,12alpha)-
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CAS No:
(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid Basic Attributes
394.5 g/mol
394.27192431 g/mol
Drug Information
3-(3 alpha, 7 beta, 12 alpha-trihydroxy-5 beta, 17 beta-androstan-17-yl)butanoic acid
Computed Properties
Molecular Weight:394.5
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:394.27192431
Monoisotopic Mass:394.27192431
Topological Polar Surface Area:98
Heavy Atom Count:28
Complexity:633
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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