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Substance Name: Dinophysistoxin 1
RN: 81720-10-7
UNII: 4Q51CVY9O2
InChIKey: CLBIEZBAENPDFY-ZHACJKMWSA-N

Note

  • From toxic dinoflagellate Dinophysis fortii.

Classification Code

  • Tumor Data

Molecular Formula

  • C45-H70-O13

Molecular Weight

  • 819.035
 
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Names and Synonyms

Name of Substance

  • Dinophysistoxin 1

Synonyms

  • 35-Methylokadaic acid
  • CCRIS 3328
  • Dinophysistoxin-1
  • Okadaic acid, 35-methyl-
  • UNII-4Q51CVY9O2

Systematic Names

  • 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, 8-((1R,2E)-3-((2R,4'aR,5R,6'S,8'R,8'aS)-6'-((1S,3S)-3-((2-S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro(5.5)undec-2-yl)-1-hydroxybutyl)octahydro-8'-hydroxy-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-1-methyl-2-propenyl)-alpha,5-dihydroxy-alpha,10-dimethyl-, (alphaR,2S,5R,6R,8S)-
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-35-methyl-
  • Dinophysistoxin-1

Registry Numbers

CAS Registry Number

  • 81720-10-7

FDA UNII

  • 4Q51CVY9O2

System Generated Number

  • 0081720107

Structure Descriptors

InChI

1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+

InChIKey

CLBIEZBAENPDFY-ZHACJKMWSA-N

Smiles

C1CC[C@@H]([C@@]2(O1)O[C@@H]([C@@H](C[C@@H]([C@@H]1C(=C)[C@@H](O)[C@@H]3[C@@H](O1)CC[C@@]1(CC[C@@H](\C=C\[C@@H]([C@@H]4CC(=C[C@@]5(O4)[C@@H](O)CC[C@@H](C[C@@](C(O)=O)(O)C)O5)C)C)O1)O3)O)C)[C@@H](CC2)C)C