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Substance Name: Wikstroelide A
RN: 73061-92-4
InChIKey: ADIURPPZKNTYEV-WGJOEDDZSA-N

Molecular Weight

  • 642.781
 
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Names and Synonyms

  • 12beta-Acetoxyhuratoxin
  • Acetoxyhuratoxin
  • Huratoxin, 12-(acetyloxy)-, (12beta)-
  • Subtoxin A
  • Wikstroelide A

Registry Numbers

CAS Registry Number

  • 73061-92-4

Other Registry Numbers

  • 117020-65-2
  • 84984-70-3

System Generated Number

  • 0073061924

Structure Descriptors

InChI

1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33+,34-,35+,36?/m1/s1

InChIKey

ADIURPPZKNTYEV-WGJOEDDZSA-N

Smiles

O[C@@H]1[C@]2(CO)[C@@H]([C@@H]3[C@@]4([C@H](C)[C@H]([C@@]5(O[C@@](O4)(O[C@H]35)\C=C\C=C\CCCCCCCCC)C(=C)C)OC(C)=O)[C@H]3[C@@]1(C(C(=C3)C)=O)O)O2