Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-
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![Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1ba0a2bf8e684bb28ef50989e39cac00.png "Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-")
Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-
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CAS No:
128718-53-6
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Formula:
C48H52N2O19
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Chemical Name:
Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-
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Synonyms:
3-Pyridinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-,(8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S,22S)-10,13,22-tris(acetyloxy)-12-[(acetyloxy)methyl]-21-(benzoyloxy)-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-20-hydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridin-14-yl ester;Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-;Emarginatine B;3-Pyridinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-,10,13,22-tris(acetyloxy)-12-[(acetyloxy)methyl]-21-(benzoyloxy)-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-20-hydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridin-14-yl ester,[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,19S*,20S*,21S*,22S*)]-;(+)-Emarginatine B
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CAS No:
Description
ChEBI: A sesquiterpene alkaloid that is a macrolide incorporating a substituted dihydroagarofuran and a pyrindine ring. Isolated from Maytenus emarginata, it exhibits cytotoxicity against human KB cells.
Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)- Basic Attributes
960.9 g/mol
960.93
Computed Properties
Molecular Weight:960.9
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:15
Exact Mass:960.31642743
Monoisotopic Mass:960.31642743
Topological Polar Surface Area:273
Heavy Atom Count:69
Complexity:2190
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Evonine,8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8β)-
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