Carboxyhomoyessotoxin

CAS Registry Number®

292850-13-6

CAS Name

Carboxyhomoyessotoxin

Molecular Formula

C56H84O23S2

Molecular Mass

1189.38

Cite this Page

Carboxyhomoyessotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=292850-13-6 (retrieved 2024-11-14) (CAS RN: 292850-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H84O23S2/c1-9-11-30(51(58)59)13-16-52(4,60)50-29(3)20-39-38(74-50)26-46-56(8,77-39)49(57)48-42(73-46)24-41-47(75-48)28(2)12-17-54(6)44(72-41)27-43-55(7,79-54)18-14-31-32(71-43)21-34-33(68-31)22-35-36(69-34)23-40-37(70-35)25-45(78-81(64,65)66)53(5,76-40)15-10-19-67-80(61,62)63/h9,13,16,28,30-50,57,60H,1,3,10-12,14-15,17-27H2,2,4-8H3,(H,58,59)(H,61,62,63)(H,64,65,66)/b16-13+/t28-,30+,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,52+,53+,54-,55+,56-/m0/s1

InChIKey

InChIKey=NWJHPOGGOSFSPA-KNOPTZGVSA-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@@](CCCOS(=O)(=O)O)(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@@H](CC=C)C(O)=O)(C)O)(O%11)[H])[H])[H])[H]

Canonical SMILES

O=C(O)C(C=CC(O)(C)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(OC6(C)CCC(C)C5OC4C(O)C3(OC2CC1=C)C)C)CC=C

Other Names for this Substance

  • Yessotoxin, 44-carboxy-44-demethylene-3-de[2-(sulfooxy)ethyl]-3-[3-(sulfooxy)propyl]-, (44R)-
  • (44R)-44-Carboxy-44-demethylene-3-de[2-(sulfooxy)ethyl]-3-[3-(sulfooxy)propyl]yessotoxin
  • 44R-Carboxyhomoyessotoxin
  • Carboxyhomoyessotoxin

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles