79580-28-2

Brevetoxin B

Synonym(s): Brevetoxin-2; PbTx-2

IUPAC Name: 2-(((1S,3R,4aR,5aS,6aR,9aS,10aR,11aS,12aR,13R,14aS,15aR,16aS,20aR,21aS,22aR,23aS,25aR,26aS,27aR,28aS,29aR,30aS,Z)-1-hydroxy-9a,13,20,21a,25a,26a,30a-heptamethyl-18-oxo-2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,18,20a,21a,22,22a,23a,24,25,25a,26a,27,27a,28a,29,29a,30a-tetratriacontahydro-1H-pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxepino[2''',3''':6'',7'']oxepino[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[2,3-g]oxocin-3-yl)methyl)acrylaldehyde

InChIKey: LYTCVQQGCSNFJU-FGRVLNGBSA-N

SMILES: C[C@@]1(O[C@](C)(CC[C@@](O[C@@](C[C@](C)(O[C@@](C(C)=CC2=O)([H])[C@](O2)([H])C3)[C@]3([H])O4)([H])[C@]4([H])C5)([H])[C@]([C@@H]5C)([H])O6)[C@]6([H])C7)[C@]7([H])O[C@]8(C)[C@@](O[C@](C[C@](O[C@@](C)([C@H]9O)[C@@](O[C@H](CC(C=O)=C)C9)([H])C%10)([H])[C@@]%10([H])O%11)([H])[C@@]%11([H])/C=C\C8)([H])C1