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Substance Name: Dinophysistoxin 2
RN: 139933-46-3
UNII: RH78DHY1JZ
InChIKey: BRFKTXCAUCYQBT-KIXJXINUSA-N

Note

  • A principal toxin responsible for diarrhetic shellfish poisoning.

Molecular Formula

  • C44-H68-O13

Molecular Weight

  • 805.0082
 
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Names and Synonyms

Name of Substance

  • Dinophysistoxin 2

Synonyms

  • Dinophysistoxin-2
  • DTX-2
  • UNII-RH78DHY1JZ

Systematic Names

  • 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, alpha,5-dihydroxy-alpha,10-dimethyl-8-((1R,2E)-1-methyl-3-((2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,6S,11R)-11-methyl-1,7-dioxaspiro(5.5)undec-2-yl)butyl)-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-2-propenyl)-, (alphaR,2R,5R,6S,8S)-
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-31-demethyl-35-methyl-, (35R)-

Registry Numbers

CAS Registry Number

  • 139933-46-3

FDA UNII

  • RH78DHY1JZ

System Generated Number

  • 0139933463

Structure Descriptors

InChI

1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1

InChIKey

BRFKTXCAUCYQBT-KIXJXINUSA-N

Smiles

C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]4CC(=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)C)O[C@H]2[C@H](O)C1=C)[C@@H]6CCC[C@@]7(OCCC[C@H]7C)O6