5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
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![5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c5b55cf8e7184393846696ce29b52804.png "5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one")
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
structure -
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CAS No:
99223-92-4
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Formula:
C32H41NO4
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Chemical Name:
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
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Synonyms:
99223-92-4;DTXSID00912831;14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}bufa-4,20,22-trienolide;Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta)-
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CAS No:
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Basic Attributes
503.7 g/mol
503.30355879 g/mol
Computed Properties
Molecular Weight:503.7
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:503.30355879
Monoisotopic Mass:503.30355879
Topological Polar Surface Area:78.8
Heavy Atom Count:37
Complexity:993
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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