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Substance Name: Lyngbyatoxin B
RN: 133084-52-3
InChIKey: RLQWNZUFDRUTMZ-UHFFFAOYSA-N

Note

  • Irritant form Lyngbya majuscula.

Molecular Weight

  • 453.623
 
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Names and Synonyms

Name of Substance

  • Lyngbyatoxin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133084-52-3

System Generated Number

  • 0133084523

Structure Descriptors

InChI

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

InChIKey

RLQWNZUFDRUTMZ-UHFFFAOYSA-N

Smiles

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