(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
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![(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/66af6bdf2374435da7d8934a250e46a8.png "(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one")
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
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CAS No:
99223-91-3
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Formula:
C31H45NO4
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Chemical Name:
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
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Synonyms:
99223-91-3;DTXSID60912832;14-Hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]amino}cardanolide;Cardanolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
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CAS No:
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one Basic Attributes
495.7 g/mol
495.33485892 g/mol
Computed Properties
Molecular Weight:495.7
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:495.33485892
Monoisotopic Mass:495.33485892
Topological Polar Surface Area:78.8
Heavy Atom Count:36
Complexity:825
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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