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Substance Name: 6'-O-4-Azidobenzoylatractyloside
RN: 83579-68-4
InChIKey: URFQPLVDKMKARK-UHFFFAOYSA-L

Molecular Weight

  • 948.11
 
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Names and Synonyms

Name of Substance

  • 6'-O-4-Azidobenzoylatractyloside

Synonyms

  • 6'-O-para-Azidobenzoyl-atractyloside
  • Pab-atr

Systematic Name

  • 19-Norkaur-16-en-18-oic acid, 2-((6-O-(4-azidobenzoyl)-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-15-hydroxy-, dipotassium salt, labeled with carbon-14, (2beta,4alpha,15alpha)-

Registry Numbers

CAS Registry Number

  • 83579-68-4

System Generated Number

  • 0083579684

Structure Descriptors

InChI

1S/C37H49N3O17S2.2K/c1-18(2)13-28(41)55-31-30(57-59(49,50)51)29(56-58(46,47)48)26(17-52-34(45)20-5-8-22(9-6-20)39-40-38)54-35(31)53-23-14-24(33(43)44)25-11-12-37-15-21(19(3)32(37)42)7-10-27(37)36(25,4)16-23;;/h5-6,8-9,18,21,23-27,29-32,35,42H,3,7,10-17H2,1-2,4H3,(H,43,44)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

InChIKey

URFQPLVDKMKARK-UHFFFAOYSA-L

Smiles

[K+].C(O[C@@H]1[C@@H](O[C@@H]2C[C@@H](C(=O)O)[C@@H]3[C@@](C)(C2)[C@@H]2[C@@]4([C@@H](C([C@@H](C4)CC2)=C)O)CC3)O[C@@H]([C@@H]([C@@H]1OS(=O)(=O)[O-])OS([O-])(=O)=O)COC(=O)c1ccc(cc1)N=[N+]=[N-])(CC(C)C)=O.[K+]