5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-(131I)iodanylphenyl)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-hydroxy-3-(131I)iodanylphenyl)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/20220811/9643d3c5b89f48ef85e4c12dcbc5ffe9.png "5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-(131I)iodanylphenyl)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-hydroxy-3-(131I)iodanylphenyl)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:
99223-95-7
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Formula:
C32H40INO4
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Chemical Name:
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-(131I)iodanylphenyl)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:
99223-95-7;DTXSID30912829;Bufa-4,20,22-trienolide, 14-hydroxy-3-((2-(4-hydroxy-3-(iodo-131I)phenyl)ethyl)amino)-, (3bea)-;14-Hydroxy-3-({2-[4-hydroxy-3-(~131~I)iodophenyl]ethyl}amino)bufa-4,20,22-trienolide
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CAS No:
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[2-(4-hydroxy-3-(131I)iodanylphenyl)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
633.6 g/mol
633.201860 g/mol
Computed Properties
Molecular Weight:633.6
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:633.201860
Monoisotopic Mass:633.201860
Topological Polar Surface Area:78.8
Heavy Atom Count:38
Complexity:1040
Isotope Atom Count:1
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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