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(1S/R,13S,14R)-3-Methoxy-13-methyl-5-pentyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene-14-carbaldehyde

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(1S/R,13S,14R)-3-Methoxy-13-methyl-5-pentyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene-14-carbaldehyde
SpectraBase Compound ID 79W4MvOi4Gn
InChI InChI=1S/C21H28O3/c1-4-5-6-7-15-10-18(23-3)21-19(11-15)24-13-16-9-8-14(2)17(12-22)20(16)21/h9-12,14,17,20H,4-8,13H2,1-3H3/t14-,17+,20?/m1/s1
InChIKey QYUATFHVRWMFET-NJKBTARHSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5k4TjBRi2jL
Name (1S/R,13S,14R)-3-Methoxy-13-methyl-5-pentyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene-14-carbaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-5-6-7-15-10-18(23-3)21-19(11-15)24-13-16-9-8-14(2)17(12-22)20(16)21/h9-12,14,17,20H,4-8,13H2,1-3H3/t14-,17+,20?/m1/s1
InChIKey QYUATFHVRWMFET-NJKBTARHSA-N
Molecular Weight 328.452 g/mol
SMILES C1=2C3C(=CC[C@]([C@@]3(C=O)[H])(C)[H])COC1=CC(=CC2OC)CCCCC