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2,2'-di-O-methylimbricaric acid

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

2,2'-di-O-methylimbricaric acid
SpectraBase Compound ID 7XKu4wc3xJD
InChI InChI=1S/C25H32O7/c1-6-8-9-11-17-12-18(29-3)14-21(31-5)23(17)25(28)32-19-13-16(10-7-2)22(24(26)27)20(15-19)30-4/h12-15H,6-11H2,1-5H3,(H,26,27)
InChIKey DFARAUPKJWGCDA-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2LR41ttgPl
Name 2,2'-di-o-Methylimbricaric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.214803363 u
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-6-8-9-11-17-12-18(29-3)14-21(31-5)23(17)25(28)32-19-13-16(10-7-2)22(24(26)27)20(15-19)30-4/h12-15H,6-11H2,1-5H3,(H,26,27)
InChIKey DFARAUPKJWGCDA-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES C1(C(OC2=CC(OC)=C(C(=C2)CCC)C(=O)O)=O)=C(C=C(C=C1CCCCC)OC)OC