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Formyl-TBDMS-derivative of domoic acid
SpectraBase Compound ID F1Tmgvl14cC
InChI InChI=1S/C34H63NO7Si3/c1-24(19-18-20-25(2)30(38)41-44(14,15)33(6,7)8)27-22-35(23-36)29(31(39)42-45(16,17)34(9,10)11)26(27)21-28(37)40-43(12,13)32(3,4)5/h18-20,23,25-27,29H,21-22H2,1-17H3/b20-18+,24-19+
InChIKey VQBIVEGDXSCQCZ-NZIBLULUSA-N
Mol Weight 682.1 g/mol
Molecular Formula C34H63NO7Si3
Exact Mass 681.391233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKReeQvlkdm
Name Formyl-TBDMS-derivative of domoic acid
Alternate Name(s) t-Butyldimethylsilyl N-formyl-4-[5'-(t-butyldimethylsilyloxy)carbonyl-1'-methylhexa-1',3'-dienyl)-3-[(t-butyldimethylsilyloxy)carbonyl]methyl-tetrahydropyrrole-2-carboxylate tert-Butyl(dimethyl)silyl 4-((1E,3E)-6-{[tert-butyl(dimethyl)silyl]oxy}-1,5-dimethyl-6-oxo-1,3-hexadienyl)-3-(2-{[tert-butyl(dimethyl)silyl]oxy}-2-oxoethyl)-1-formyl-2-pyrrolidinecarboxylate
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Formula C34H63NO7Si3
InChI InChI=1S/C34H63NO7Si3/c1-24(19-18-20-25(2)30(38)41-44(14,15)33(6,7)8)27-22-35(23-36)29(31(39)42-45(16,17)34(9,10)11)26(27)21-28(37)40-43(12,13)32(3,4)5/h18-20,23,25-27,29H,21-22H2,1-17H3/b20-18+,24-19+
InChIKey VQBIVEGDXSCQCZ-NZIBLULUSA-N
Molecular Weight 682.133 g/mol
SMILES C1(N(CC(C1CC(O[Si](C(C)(C)C)(C)C)=O)\C(=C\C=C\C(C(O[Si](C(C)(C)C)(C)C)=O)C)C)C=O)C(O[Si](C(C)(C)C)(C)C)=O
SPLASH splash10-00fr-9200003000-48ec58a7977f1afafc18
Source of Spectrum KO-19-425-4
Wiley ID 1414369