1-Desulfoyessotoxin

CAS Registry Number®

255041-59-9

CAS Name

1-Desulfoyessotoxin

Molecular Formula

C55H82O18S

Molecular Mass

1063.29

Cite this Page

1-Desulfoyessotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=255041-59-9 (retrieved 2024-11-12) (CAS RN: 255041-59-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H82O18S/c1-10-11-28(2)12-15-51(5,58)50-30(4)20-39-38(68-50)26-46-55(9,71-39)49(57)48-42(67-46)24-41-47(69-48)29(3)13-16-53(7)44(66-41)27-43-54(8,73-53)17-14-31-32(65-43)21-34-33(62-31)22-35-36(63-34)23-40-37(64-35)25-45(72-74(59,60)61)52(6,70-40)18-19-56/h10,12,15,29,31-50,56-58H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,59,60,61)/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1

InChIKey

InChIKey=STPLAPGVFWFJCX-AVHIVUAZSA-N

SMILES

C[C@]12[C@@](O[C@]3([C@]([C@H]1O)(O[C@]4([C@](C3)(O[C@]5([C@](C)(CC[C@@H]4C)O[C@@]6(C)[C@](C5)(O[C@]7([C@](CC6)(O[C@]8([C@](C7)(O[C@]9([C@](C8)(O[C@]%10([C@](C9)(O[C@@](CCO)(C)[C@@H](OS(=O)(=O)O)C%10)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])(C[C@@]%11([C@@](O2)(CC(=C)[C@@]([C@](/C=C/C(CC=C)=C)(C)O)(O%11)[H])[H])[H])[H]

Canonical SMILES

O=S(=O)(O)OC1CC2OC3CC4OC5CCC6(OC7(C)CCC(C)C8OC9C(O)C%10(OC%11CC(=C)C(OC%11CC%10OC9CC8OC7CC6OC5CC4OC3CC2OC1(C)CCO)C(O)(C=CC(=C)CC=C)C)C)C

Other Names for this Substance

  • Yessotoxin, 1-O-desulfo-
  • 1-O-Desulfoyessotoxin
  • 1-Desulfoyessotoxin

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles