4',5'-Didehydro-4'-deoxy-2',19'-dioxo-2',19'-secovincaleukoblastine
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4',5'-Didehydro-4'-deoxy-2',19'-dioxo-2',19'-secovincaleukoblastine
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CAS No:
1355-31-3
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Formula:
C46H54N4O10
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Chemical Name:
4',5'-Didehydro-4'-deoxy-2',19'-dioxo-2',19'-secovincaleukoblastine
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Synonyms:
Aspidospermidine-3-carboxylic acid,4-(acetyloxy)-6,7-didehydro-15-[(9S)-3-formyl-5-ethyl-1,2,3,6,7,8,9,10-octahydro-9-(methoxycarbonyl)azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-,methyl ester,(2β,3β,4β,5α,12R,19α)-;Catharine;2′,19′-Secovincaleukoblastine,4′,5′-didehydro-4′-deoxy-2′,19′-dioxo-;Aspidospermidine-3-carboxylic acid,4-(acetyloxy)-6,7-didehydro-15-[(9S)-3-formyl-5-ethyl-1,2,3,6,7,8,9,10-octahydro-9-(methoxycarbonyl)azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-,methyl ester,(2β,3β,4β,5α,12β,19α)-;NSC 94039;856761-41-6;859036-24-1
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CAS No:
4',5'-Didehydro-4'-deoxy-2',19'-dioxo-2',19'-secovincaleukoblastine Basic Attributes
822.9
822.94
112149|94039
Computed Properties
Molecular Weight:822.9
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:822.38399393
Monoisotopic Mass:822.38399393
Topological Polar Surface Area:168
Heavy Atom Count:60
Complexity:1790
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4',5'-Didehydro-4'-deoxy-2',19'-dioxo-2',19'-secovincaleukoblastine
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