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Substance Name: Emarginatine G
RN: 155944-13-1
InChIKey: RYWZQIMXAGJSGP-ACCUITESSA-N

Note

  • Isolated from Maytenus emarginata.

Molecular Weight

  • 924.901
 
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Names and Synonyms

Name of Substance

  • Emarginatine G

Systematic Name

  • Evonine, 8-(acetyloxy)-O1,O2-dideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-O1-(1-oxo-2-butenyl)-, (8alpha)-

Registry Numbers

CAS Registry Number

  • 155944-13-1

System Generated Number

  • 0155944131

Structure Descriptors

InChI

1S/C45H52N2O19/c1-11-13-30(53)63-38-34(64-40(55)27-15-16-29(52)47(10)18-27)36-43(9,57)45-35(61-25(6)50)31(33(60-24(5)49)37(62-26(7)51)44(38,45)20-58-23(4)48)42(8,66-45)19-59-41(56)28-14-12-17-46-32(28)21(2)22(3)39(54)65-36/h11-18,21-22,31,33-38,57H,19-20H2,1-10H3/b13-11+

InChIKey

RYWZQIMXAGJSGP-ACCUITESSA-N

Smiles

O(C(=O)C)[C@@H]1[C@@H]2[C@@]3(COC(c4cccnc4[C@@H]([C@@H](C(O[C@@H]4[C@@H](OC(c5ccc(n(c5)C)=O)=O)[C@@H]([C@@](COC(C)=O)([C@@](O3)([C@@]4(O)C)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O)OC(=O)\C=C\C)=O)C)C)=O)C