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Substance Name: Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-
RN: 72514-65-9
InChIKey: PDIUEUBWQHNTIE-MVBGKBROSA-N

Molecular Weight

  • 426.503
 
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Names and Synonyms

  • Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-

Registry Numbers

CAS Registry Number

  • 72514-65-9

System Generated Number

  • 0072514659

Structure Descriptors

InChI

1S/C22H34O8/c1-9(23)29-17-15(25)21-8-19(4,26)10(14(21)24)6-7-11(21)20(5,27)13-12-16(30-12)18(2,3)22(13,17)28/h10-17,24-28H,6-8H2,1-5H3/t10?,11-,12-,13-,14-,15+,16-,17+,19+,20+,21+,22-/m0/s1

InChIKey

PDIUEUBWQHNTIE-MVBGKBROSA-N

Smiles

O[C@@H]1[C@@]23C[C@]([C@H]1CC[C@H]2[C@@](O)([C@@H]1[C@@H]2O[C@@H]2C([C@@]1(O)[C@@H](OC(C)=O)[C@H]3O)(C)C)C)(O)C