(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
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![(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f10e847210f742629a7608787f82561e.png "(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one")
(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
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CAS No:
138777-11-4
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Formula:
C28H46O4
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Chemical Name:
(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
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Synonyms:
1 alpha,3 beta,5 alpha-trihydroxy-24-methylenecholestan-6-one;1,3,5-TMCO;1,3,5-trihydroxy-24-methylenecholestan-6-one;138777-11-4;1,3,5-TMCO;1,3,5-Trihydroxy-24-methylenecholestan-6-one;1alpha,3beta,5alpha-Trihydroxy-24-methylenecholestan-6-one;DTXSID40930216;1,3,5-trihydroxyergost-24(28)-en-6-one
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CAS No:
(8S,9S,10S,13R,14S,17R)-1,3,5-trihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one Basic Attributes
446.7 g/mol
446.33960994 g/mol
Computed Properties
Molecular Weight:446.7
XLogP3:6.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:446.33960994
Monoisotopic Mass:446.33960994
Topological Polar Surface Area:77.8
Heavy Atom Count:32
Complexity:761
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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