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Carissanol dimethyl ether

View entire compound with spectra: 1 NMR

Carissanol dimethyl ether
SpectraBase Compound ID IaTajIKwikL
InChI InChI=1S/C22H28O7/c1-25-17-7-5-14(10-19(17)27-3)9-16-13-29-21(23)22(16,24)12-15-6-8-18(26-2)20(11-15)28-4/h5-8,10-11,16,21,23-24H,9,12-13H2,1-4H3
InChIKey ACVWXFVQBQDDDE-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6I7q0rQIhiR
Name Carissanol dimethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.183503235 u
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-25-17-7-5-14(10-19(17)27-3)9-16-13-29-21(23)22(16,24)12-15-6-8-18(26-2)20(11-15)28-4/h5-8,10-11,16,21,23-24H,9,12-13H2,1-4H3
InChIKey ACVWXFVQBQDDDE-UHFFFAOYSA-N
Molecular Weight 404.459 g/mol
SMILES C1=C(C(=CC(=C1)CC1(C(COC1O)CC1=CC=C(C(=C1)OC)OC)O)OC)OC