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Substance Name: Emarginatine F
RN: 155944-12-0
InChIKey: RQZCESDGZDJIIK-UHFFFAOYSA-N

Note

  • Isolated from Maytenus emarginata.

Molecular Weight

  • 918.897
 
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Names and Synonyms

Name of Substance

  • Emarginatine F

Systematic Name

  • Evonine, O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-8-hydroxy-, (8beta)-

Registry Numbers

CAS Registry Number

  • 155944-12-0

System Generated Number

  • 0155944120

Structure Descriptors

InChI

1S/C46H50N2O18/c1-22-23(2)39(54)64-37-34(63-41(56)28-16-17-30(52)48(8)19-28)38(65-40(55)27-13-10-9-11-14-27)45(21-59-24(3)49)36(62-26(5)51)33(53)31-35(61-25(4)50)46(45,44(37,7)58)66-43(31,6)20-60-42(57)29-15-12-18-47-32(22)29/h9-19,22-23,31,33-38,53,58H,20-21H2,1-8H3

InChIKey

RQZCESDGZDJIIK-UHFFFAOYSA-N

Smiles

O([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@@]([C@@]1(O3)[C@@]4(C)O)([C@@H](OC(C)=O)[C@@H]2O)COC(C)=O)OC(=O)c1ccccc1)=O)C)C)=O)C)C(C)=O