Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-
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![Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/273f3416a6a149a0b0fbb3f09295650b.png "Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-")
Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-
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CAS No:
155944-12-0
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Formula:
C46H50N2O18
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Chemical Name:
Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-
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Synonyms:
3-Pyridinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-,(8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,21-bis(acetyloxy)-12-[(acetyloxy)methyl]-13-(benzoyloxy)-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-20,22-dihydroxy-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,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-;8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine,3-pyridinecarboxylic acid deriv.;Emarginatine F;8-Deacetyl-8-epihippocrateine I;(+)-Emarginatine F;3-Pyridinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-,10,21-bis(acetyloxy)-12-[(acetyloxy)methyl]-13-(benzoyloxy)-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-20,22-dihydroxy-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*,12R*,13R*,14R*,15S*,18S*,19S*,20S*,21S*,22S*)]-
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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 strong cytotoxicity against human epidermoid carcinoma of the nasopharynx (KB), ile cecal adenocarcinoma (HCT-8), melanoma (RPMI-7951) and medulloblastoma (TE-671) tumor cells, and against murine leukemia (P-388).
Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)- Basic Attributes
918.9 g/mol
918.89
Computed Properties
Molecular Weight:918.9
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:13
Exact Mass:918.30586275
Monoisotopic Mass:918.30586275
Topological Polar Surface Area:267
Heavy Atom Count:66
Complexity:2070
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Evonine,O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxy-,(8β)-
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