PICROTOXIN(124-87-8) 1H NMR
Product NamePICROTOXIN
CAS124-87-8
Molecular FormulaC30H34O13
Molecular Weight602.58
InChIInChI=1/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7+,8+,9-,13-,14-,15+;6-,7+,8+,9+,10-,13-,14-,15+/s3
InChIKey VJKUPQSHOVKBCO-PIMYUVTFNA-N
Smiles[C@@]123C(=O)O[C@@]4([C@]5(OC(=O)[C@@]([C@@H]5C(O)(C)C)([H])[C@@](C[C@]1(O2)[H])(O)[C@]34C)[H])[H].[C@@]123C(=O)O[C@]4([H])[C@]5([H])[C@@H](C(=C)C)[C@@]([H])(C(O5)=O)[C@@](C[C@@]1([H])O2)(O)[C@]34C |&1:0,4,5,9,10,16,18,22,26,30,32,34,38,43,45,49,r|
