(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid
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![(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a11d16fedec34b65b5bcbf915665a3a0.png "(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid")
(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid
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CAS No:
121569-59-3
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Formula:
C27H46O6
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Chemical Name:
(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid
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Synonyms:
3 alpha,7 alpha,12 alpha,22-tetrahydroxy-5 beta-cholestanoic acid;3,7,12,22-tetrahydroxycholestanoic acid;3,7,12,22-THCA;121569-59-3;3,7,12,22-THCA;3,7,12,22-Tetrahydroxycholestanoic acid;DTXSID00923866;3alpha,7alpha,12alpha,22-Tetrahydroxy-5beta-cholestanoic acid;3,7,12,22-tetrahydroxycholestan-26-oic acid;Cholestan-26-oic acid, 3,7,12,22-tetrahydroxy-, (3alpha,5beta,7alpha,12alpha,22R)-
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CAS No:
(5R,6S)-5-hydroxy-2-methyl-6-[(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]heptanoic acid Basic Attributes
466.6 g/mol
466.32943918 g/mol
Computed Properties
Molecular Weight:466.6
XLogP3:3.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:466.32943918
Monoisotopic Mass:466.32943918
Topological Polar Surface Area:118
Heavy Atom Count:33
Complexity:727
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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