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Substance Name: Brevetoxin B, 27,28-epoxy-27,28-dihydro-
RN: 97938-23-3
InChIKey: XXPMBLWPRXRSBN-UHFFFAOYSA-N

Molecular Weight

  • 911.088
 
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Names and Synonyms

Synonyms

  • Brevetoxin PbTx 6
  • GB 6
  • Ptychodiscus brevis toxin 6

Systematic Name

  • Brevetoxin B, 27,28-epoxy-27,28-dihydro-

Registry Numbers

CAS Registry Number

  • 97938-23-3

System Generated Number

  • 0097938233

Structure Descriptors

InChI

1S/C50H70O15/c1-23(22-51)11-26-14-35(52)50(8)39(54-26)16-29-30(62-50)15-31-44(59-29)45-34(60-45)20-48(6)40(57-31)21-49(7)38(63-48)18-37-46(4,65-49)10-9-27-42(61-37)24(2)12-28-33(55-27)19-47(5)36(56-28)17-32-43(64-47)25(3)13-41(53)58-32/h13,22,24,26-40,42-45,52H,1,9-12,14-21H2,2-8H3

InChIKey

XXPMBLWPRXRSBN-UHFFFAOYSA-N

Smiles

C=1C(O[C@@H]2C[C@@H]3[C@@](O[C@@H]2C1C)(C)C[C@@H]1O[C@@H]2[C@@H]([C@@H](C[C@@H]1O3)C)O[C@@H]1[C@@](CC2)(O[C@@]2(C[C@@H]3[C@@](O[C@@H]2C1)(C[C@@H]1[C@@H]([C@@H]2[C@@H](O3)C[C@@H]3[C@@H](O2)C[C@@H]2[C@@](O3)([C@@H](C[C@@H](O2)CC(C=O)=C)O)C)O1)C)C)C)=O