TaxolineCAS:213539-42-5
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TaxolineCAS:213539-42-5
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CAS No:
213539-42-5
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Formula:
C45H55NO14
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Chemical Name:
TaxolineCAS:213539-42-5
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Synonyms:
Taxoline;213539-42-5;CHEMBL412193;DTXSID30943916;Benzenepropanoic acid, alpha-hydroxy-beta-((2-methyl-1-oxobutyl)amino)-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-;N-(3-{[4,10-Bis(acetyloxy)-2-(benzoyloxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)-2-methylbutanimidic acid
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CAS No:
Computed Properties
Molecular Weight:833.9
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:15
Exact Mass:833.36225543
Monoisotopic Mass:833.36225543
Topological Polar Surface Area:221
Heavy Atom Count:60
Complexity:1730
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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