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TFA-TBDMS-derivative of domoic acid
SpectraBase Compound ID 1AeV4YNF5o2
InChI InChI=1S/C35H62F3NO7Si3/c1-23(19-18-20-24(2)29(41)45-48(14,15)33(6,7)8)26-22-39(31(43)35(36,37)38)28(30(42)46-49(16,17)34(9,10)11)25(26)21-27(40)44-47(12,13)32(3,4)5/h18-20,24-26,28H,21-22H2,1-17H3/b20-18+,23-19+
InChIKey UEIUGOGRIZMNKX-KNKXVHGUSA-N
Mol Weight 750.1 g/mol
Molecular Formula C35H62F3NO7Si3
Exact Mass 749.378617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 652rIzrx9Pa
Name TFA-TBDMS-derivative of domoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62F3NO7Si3
InChI InChI=1S/C35H62F3NO7Si3/c1-23(19-18-20-24(2)29(41)45-48(14,15)33(6,7)8)26-22-39(31(43)35(36,37)38)28(30(42)46-49(16,17)34(9,10)11)25(26)21-27(40)44-47(12,13)32(3,4)5/h18-20,24-26,28H,21-22H2,1-17H3/b20-18+,23-19+
InChIKey UEIUGOGRIZMNKX-KNKXVHGUSA-N
Molecular Weight 750.131 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(C(F)(F)F)=O)C(O[Si](C(C)(C)C)(C)C)=O
SPLASH splash10-00dm-9500003000-7723b3598ccb5293c952
Source of Spectrum KO-19-423-2
Synonyms t-Butyldimethylsilyl N-trifluoroacetyl-4-[5'-(t-butyldimethylsilyloxy)carbonyl-1'-methylhexa-1',3'-dienyl)-3-[(t-butyldiimethylsilyloxy)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-(trifluoroacetyl)-2-pyrrolidinecarboxylate
Wiley ID 1416303