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2,3-Dihydro-2-(3'-hydroxy-5'-methoxyphenyl)-N-[2-(4"-hydroxyphenyl)ethyl]-5-{3-[2'"-(p-hydroxyphenyl)ethyl]amino-3-oxoprop-1-en-1-yl}-7-methoxybenzofuran-3-carboxamide
SpectraBase Compound ID 2bZZgzawg8G
InChI InChI=1S/C36H36N2O8/c1-44-29-20-25(19-28(41)21-29)34-33(36(43)38-16-14-23-5-10-27(40)11-6-23)30-17-24(18-31(45-2)35(30)46-34)7-12-32(42)37-15-13-22-3-8-26(39)9-4-22/h3-12,17-21,33-34,39-41H,13-16H2,1-2H3,(H,37,42)(H,38,43)/b12-7+
InChIKey BPTUEFHHKWWGMV-KPKJPENVSA-N
Mol Weight 624.7 g/mol
Molecular Formula C36H36N2O8
Exact Mass 624.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID P0d2ZPjtI
Name 2,3-Dihydro-2-(3'-hydroxy-5'-methoxyphenyl)-N-[2-(4"-hydroxyphenyl)ethyl]-5-{3-[2'"-(p-hydroxyphenyl)ethyl]amino-3-oxoprop-1-en-1-yl}-7-methoxybenzofuran-3-carboxamide
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Formula C36H36N2O8
InChI InChI=1S/C36H36N2O8/c1-44-29-20-25(19-28(41)21-29)34-33(36(43)38-16-14-23-5-10-27(40)11-6-23)30-17-24(18-31(45-2)35(30)46-34)7-12-32(42)37-15-13-22-3-8-26(39)9-4-22/h3-12,17-21,33-34,39-41H,13-16H2,1-2H3,(H,37,42)(H,38,43)/b12-7+
InChIKey BPTUEFHHKWWGMV-KPKJPENVSA-N
Molecular Weight 624.690 g/mol
SMILES N(C(\C=C\c1cc2c(OC(C2C(=O)NCCc2ccc(cc2)O)c2cc(O)cc(c2)OC)c(c1)OC)=O)CCc1ccc(cc1)O
SPLASH splash10-0udi-0209100000-0e25a5ac62c0f53ac008
Source of Spectrum H-91-1030-1
Synonyms Thoreliamide A
Wiley ID 1693354