(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
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![(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/01892287ace240d8b48d6721e3ca6882.png "(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one")
(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
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CAS No:
31107-49-0
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Formula:
C27H44O4
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Chemical Name:
(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
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Synonyms:
3,5,14-trihydroxycholest-7-en-6-one;3beta,5beta,14alpha-trihydroxy-5beta-cholest-7-en-6-one;triol I;3,5,14-Trihydroxycholest-7-en-6-one;Triol I;31107-49-0;3beta,5beta,14alpha-Trihydroxy-5beta-cholest-7-en-6-one;DTXSID60953205;(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one;Cholest-7-en-6-one, 3,5,14-trihydroxy-, (3beta,5beta)-
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CAS No:
(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Basic Attributes
432.6 g/mol
432.32395988 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:432.32395988
Monoisotopic Mass:432.32395988
Topological Polar Surface Area:77.8
Heavy Atom Count:31
Complexity:758
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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