Ciguatoxin, 6,7-dihydro-7-hydroxy-

CAS Registry Number®

263336-56-7
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CAS Name

Ciguatoxin, 6,7-dihydro-7-hydroxy-

Molecular Formula

C60H88O20

Molecular Mass

1129.33

Cite this Page

Ciguatoxin, 6,7-dihydro-7-hydroxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=263336-56-7 (retrieved 2024-09-20) (CAS RN: 263336-56-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H88O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-58,61-67H,8-9,16-26H2,1-5H3/b7-6-,11-10+/t27-,28+,29+,30+,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-,56+,57-,58+,59+,60-/m1/s1

InChIKey

InChIKey=GMAVVBHHYUTPNO-AGUZAIFQSA-N

SMILES

C[C@@H]1[C@@]2(O[C@@]3([C@@]([C@H]1C)(O[C@@]4([C@@]([C@@H](C)[C@@H]3O)(O[C@@]5([C@@](C4)(O[C@@]6([C@@](C[C@H](C)C5)(O[C@]7(C)[C@@](C6)(O[C@@]8([C@@](C[C@H]7O)(O[C@@]9([C@@](C/C=C\C8)(O[C@@]%10([C@@](C=C9)(O[C@@]%11([C@@](C=C%10)(O[C@@]%12([C@@](C%11)(O[C@@]%13([C@@]([C@H]%12O)(O[C@@H](/C=C/[C@@H](CO)O)CC(O)C%13)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])OC[C@@H](O)C2

Canonical SMILES

OCC(O)C=CC1OC2C(O)C3OC4C=CC5OC6CC=CCC7OC8CC9OC%10CC%11OC%12C(OC%13(OCC(O)C%13)C(C)C%12C)C(O)C(C)C%11OC%10CC(C)CC9OC8(C)C(O)CC7OC6C=CC5OC4CC3OC2CC(O)C1

Other Names for this Substance

  • Ciguatoxin, 6,7-dihydro-7-hydroxy-
  • 7-Hydroxyciguatoxin