(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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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![(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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/20220812/7f9a1d5779164f2f96af023fa5410449.png "(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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")
(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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 -
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CAS No:
121500-92-3
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Formula:
C27H46O6
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Chemical Name:
(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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,23-tetrahydroxy-5 beta-cholestanoic acid;3,7,12,23-tetrahydroxycholestanoic acid;3,7,12,23-THCA;121500-92-3;DTXSID50923836;3,7,12,23-tetrahydroxycholestan-26-oic acid
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CAS No:
(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,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:7
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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