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Substance Name: Corynetoxin VI
RN: 82151-57-3
InChIKey: LGVLEFMOJHQPOC-JQIJEIRASA-N

Molecular Formula

  • C40-H66-N4-O16

Molecular Weight

  • 858.973
 
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Names and Synonyms

Results Name

  • Corynetoxin VI

Synonym

  • N'-(14-Meihyl-2-hexadecenoyf)

Systematic Name

  • 2,4(1H,3H)-Pyrimidinedione, 1-((11S)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-(((2E)-14-methyl-1-oxo-2-hexadecenyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-

Registry Numbers

CAS Registry Number

  • 82151-57-3

System Generated Number

  • 0082151573

Structure Descriptors

InChI

1S/C40H66N4O16/c1-4-21(2)15-13-11-9-7-5-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+

InChIKey

LGVLEFMOJHQPOC-JQIJEIRASA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](NC(=O)\C=C\CCCCCCCCCC[C@@H](CC)C)[C@@H](O)[C@@H](O)[C@@H](C[C@@H](O)[C@@H]3[C@@H]([C@@H]([C@@H](O3)n3ccc([nH]c3=O)=O)O)O)O2)[C@@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1CO