[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
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[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
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CAS No:
52552-28-0
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Formula:
C25H33ClO7
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Chemical Name:
[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
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Synonyms:
52552-28-0;Strophanthidin-3-chloroacetate;BRN 0067332;(3-beta,5-beta)-3-((Chloroacetyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide;DTXSID70966982;Card-20(22)-enolide, 3-((chloroacetyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-;3-[(Chloroacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
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CAS No:
[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate Basic Attributes
481.0 g/mol
480.1914811 g/mol
Computed Properties
Molecular Weight:481.0
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:480.1914811
Monoisotopic Mass:480.1914811
Topological Polar Surface Area:110
Heavy Atom Count:33
Complexity:903
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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