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5,7-Dimethoxy-3-(1-hydroxy-6,6-dimethylbenzo[b]pyran-2-yl)-6-(isopent-2-en-1-yl)dihydrobenzo[b]pyran
SpectraBase Compound ID 13XlpscFurm
InChI InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(26(20)30-6)13-17(15-31-24)18-9-10-22-19(25(18)28)11-12-27(3,4)32-22/h7,9-12,14,17,28H,8,13,15H2,1-6H3
InChIKey VGMKTGPLZINCQN-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C27H32O5
Exact Mass 436.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQAHZJVGyWx
Name 5,7-Dimethoxy-3-(1-hydroxy-6,6-dimethylbenzo[B]pyran-2-yl)-6-(isopent-2-en-1-yl)dihydrobenzo[B]pyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.224974125 u
Formula C27H32O5
InChI InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(26(20)30-6)13-17(15-31-24)18-9-10-22-19(25(18)28)11-12-27(3,4)32-22/h7,9-12,14,17,28H,8,13,15H2,1-6H3
InChIKey VGMKTGPLZINCQN-UHFFFAOYSA-N
Molecular Weight 436.548 g/mol
SMILES C12=C(C(CC=C(C)C)=C(C=C2OCC(C2=C(C=3C=CC(OC3C=C2)(C)C)O)C1)OC)OC