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Luteolin-7-o-neohesperidoside permethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Luteolin-7-o-neohesperidoside permethyl ester
SpectraBase Compound ID E4LPfvVkTrb
InChI InChI=1S/C36H48O15/c1-38-17-26-29(41-4)31(43-6)33(45-8)35(50-26)47-20-12-10-19(11-13-20)23-16-22(37)28-24(40-3)14-21(15-25(28)49-23)48-36-34(46-9)32(44-7)30(42-5)27(51-36)18-39-2/h10-16,26-27,29-36H,17-18H2,1-9H3
InChIKey HOYRMOZEXBHQHY-UHFFFAOYSA-N
Mol Weight 720.8 g/mol
Molecular Formula C36H48O15
Exact Mass 720.299321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ucNlOHTzhg
Name Luteolin-7-o-neohesperidoside permethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 720.299320831 u
Formula C36H48O15
InChI InChI=1S/C36H48O15/c1-38-17-26-29(41-4)31(43-6)33(45-8)35(50-26)47-20-12-10-19(11-13-20)23-16-22(37)28-24(40-3)14-21(15-25(28)49-23)48-36-34(46-9)32(44-7)30(42-5)27(51-36)18-39-2/h10-16,26-27,29-36H,17-18H2,1-9H3
InChIKey HOYRMOZEXBHQHY-UHFFFAOYSA-N
Molecular Weight 720.765 g/mol
SMILES C1=2C(C=C(OC2C=C(C=C1OC)OC1C(C(OC)C(C(O1)COC)OC)OC)C=1C=CC(OC2C(C(OC)C(C(O2)COC)OC)OC)=CC1)=O