4-Deacetylpaclitaxel
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4-Deacetylpaclitaxel
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CAS No:
160511-46-6
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Formula:
C45H49NO13
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Chemical Name:
4-Deacetylpaclitaxel
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Synonyms:
Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11,12b-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,6-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11,12b-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11,12b-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-hydroxybenzenepropanoate;4-Deacetylpaclitaxel;4-Deacetyltaxol
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CAS No:
Computed Properties
Molecular Weight:811.9
XLogP3:1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:811.32039062
Monoisotopic Mass:811.32039062
Topological Polar Surface Area:215
Heavy Atom Count:59
Complexity:1680
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes