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Substance Name: Corynetoxin HI7a
RN: 82151-55-1
InChIKey: DFSIRIGCTBKPHD-UHFFFAOYSA-N

Molecular Formula

  • C40-H68-N4-O17

Molecular Weight

  • 876.988
 
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Names and Synonyms

Results Name

  • Corynetoxin HI7a

Synonym

  • Corynetoxin HI7a

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82151-55-1

System Generated Number

  • 0082151551

Structure Descriptors

InChI

1S/C40H68N4O17/c1-4-20(2)13-11-9-7-5-6-8-10-12-14-22(47)17-27(50)42-29-33(54)30(51)24(58-39(29)61-38-28(41-21(3)46)32(53)31(52)25(19-45)59-38)18-23(48)36-34(55)35(56)37(60-36)44-16-15-26(49)43-40(44)57/h15-16,20,22-25,28-39,45,47-48,51-56H,4-14,17-19H2,1-3H3,(H,41,46)(H,42,50)(H,43,49,57)

InChIKey

DFSIRIGCTBKPHD-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](NC(C[C@@H](CCCCCCCCCC[C@@H](CC)C)O)=O)[C@@H](O)[C@@H](O)[C@@H](O2)C[C@@H]([C@@H]2[C@@H]([C@@H]([C@@H](O2)n2ccc([nH]c2=O)=O)O)O)O)[C@@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1CO