sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
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![sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/762725a121a24493b2ef9cf6846fb99b.png "sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid")
sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
structure -
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CAS No:
85120-90-7
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Formula:
C23H38NaO5+
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Chemical Name:
sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
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Synonyms:
24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3alpha,5beta,7alpha,12alpha)-;85120-90-7
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CAS No:
sodium;(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid Basic Attributes
417.5 g/mol
417.26169359 g/mol
Computed Properties
Molecular Weight:417.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:417.26169359
Monoisotopic Mass:417.26169359
Topological Polar Surface Area:98
Heavy Atom Count:29
Formal Charge:1
Complexity:622
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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