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(25)-N-((1E)-5,6,7-triacetoxystyr-1-yl)-2-acetylamino-3-(6-bromoindol-3yl)propionamide
SpectraBase Compound ID 26VL5rMdKYz
InChI InChI=1S/C27H26BrN3O8/c1-14(32)31-23(11-19-13-30-22-12-20(28)5-6-21(19)22)27(36)29-8-7-18-9-24(37-15(2)33)26(39-17(4)35)25(10-18)38-16(3)34/h5-10,12-13,23,30H,11H2,1-4H3,(H,29,36)(H,31,32)/b8-7+/t23-/m0/s1
InChIKey RENORPIAQHZIDC-MNQSQUENSA-N
Mol Weight 600.42 g/mol
Molecular Formula C27H26BrN3O8
Exact Mass 599.090328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I72Te9GWh81
Name (25)-N-((1E)-5,6,7-triacetoxystyr-1-yl)-2-acetylamino-3-(6-bromoindol-3yl)propionamide
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Formula C27H26BrN3O8
InChI InChI=1S/C27H26BrN3O8/c1-14(32)31-23(11-19-13-30-22-12-20(28)5-6-21(19)22)27(36)29-8-7-18-9-24(37-15(2)33)26(39-17(4)35)25(10-18)38-16(3)34/h5-10,12-13,23,30H,11H2,1-4H3,(H,29,36)(H,31,32)/b8-7+/t23-/m0/s1
InChIKey RENORPIAQHZIDC-MNQSQUENSA-N
Molecular Weight 600.422 g/mol
SMILES N(C([C@](Cc1c2c(cc(cc2)Br)[nH]c1)(NC(=O)C)[H])=O)\C=C\c1cc(c(c(OC(=O)C)c1)OC(=O)C)OC(=O)C
SPLASH splash10-0di0-0090020000-7c160d543b4ed4463329
Source of Spectrum I-57-2327-0
Synonyms 4-((E)-2-{[(2S)-2-(acetylamino)-3-(6-bromo-1H-indol-3-yl)propanoyl]amino}ethenyl)-2,6-bis(acetyloxy)phenyl acetate Acetic acid [5-[(E)-2-[[(2S)-2-acetamido-3-(6-bromo-1H-indol-3-yl)-1-oxopropyl]amino]ethenyl]-2,3-diacetyloxyphenyl] ester [5-[(E)-2-[[(2S)-2-acetamido-3-(6-bromo-1H-indol-3-yl)propanoyl]amino]ethenyl]-2,3-diacetyloxyphenyl] acetate [5-[(E)-2-[[(2S)-2-acetamido-3-(6-bromo-1H-indol-3-yl)propanoyl]amino]vinyl]-2,3-diacetoxy-phenyl] acetate [5-[(E)-2-[[(2S)-2-acetamido-3-(6-bromanyl-1H-indol-3-yl)propanoyl]amino]ethenyl]-2,3-diacetyloxy-phenyl] ethanoate
Wiley ID 1410042