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3,6-O-Diacetyl-neochlorogenin

View entire compound with spectra: 6 NMR

3,6-O-Diacetyl-neochlorogenin
SpectraBase Compound ID G5KtRPM2lYU
InChI InChI=1S/C31H48O6/c1-17-7-12-31(34-16-17)18(2)28-27(37-31)15-24-22-14-26(36-20(4)33)25-13-21(35-19(3)32)8-10-29(25,5)23(22)9-11-30(24,28)6/h17-18,21-28H,7-16H2,1-6H3
InChIKey QAJWJYRUXKIGQX-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C31H48O6
Exact Mass 516.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cSTAzVJIa2
Name 3,6-O-Diacetyl-neochlorogenin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H48O6
InChI InChI=1S/C31H48O6/c1-17-7-12-31(34-16-17)18(2)28-27(37-31)15-24-22-14-26(36-20(4)33)25-13-21(35-19(3)32)8-10-29(25,5)23(22)9-11-30(24,28)6/h17-18,21-28H,7-16H2,1-6H3
InChIKey QAJWJYRUXKIGQX-UHFFFAOYSA-N
Literature Reference Phytochem. 21, 2083 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3