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Substance Name: Lyngbyatoxin C
RN: 133084-53-4
InChIKey: VMLLPMJDAXPWAA-PIKNDIPASA-N

Note

  • Irritant from Lyngbya majuscula.

Molecular Weight

  • 453.623
 
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Names and Synonyms

Name of Substance

  • Lyngbyatoxin C

Systematic Name

  • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1-ethenyl-5-hydroxy-1,5-dimethyl-3-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*,9(S*)))-

Registry Numbers

CAS Registry Number

  • 133084-53-4

System Generated Number

  • 0133084534

Structure Descriptors

InChI

1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1

InChIKey

VMLLPMJDAXPWAA-PIKNDIPASA-N

Smiles

N1([C@H](C(N[C@@H](Cc2c3c1ccc(c3[nH]c2)[C@@](C\C=C\C(C)(C)O)(C)C=C)CO)=O)C(C)C)C