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4H-pyran-4-one, 2-[6-(1,3-dimethyl-4-oxo-1-hexenyl)-1,3,5-trimethyl-2,4-cyclohexadien-1-yl]-6-methoxy-3,5-dimethyl-, [1R[1.alpha.,6.alpha.(1E,3R*)]]-

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

4H-pyran-4-one, 2-[6-(1,3-dimethyl-4-oxo-1-hexenyl)-1,3,5-trimethyl-2,4-cyclohexadien-1-yl]-6-methoxy-3,5-dimethyl-, [1R[1.alpha.,6.alpha.(1E,3R*)]]-
SpectraBase Compound ID ASwb3Jzmbum
InChI InChI=1S/C25H34O4/c1-10-20(26)15(3)12-17(5)21-16(4)11-14(2)13-25(21,8)23-18(6)22(27)19(7)24(28-9)29-23/h11-13,15,21H,10H2,1-9H3/b17-12+/t15-,21-,25-/m1/s1
InChIKey VMPBWHTWVYLGEU-ILIXIYHTSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfbMAienHwW
Name 4H-Pyran-4-one, 2-[6-(1,3-dimethyl-4-oxo-1-hexenyl)-1,3,5-trimethyl-2,4-cyclohexadien-1-yl]-6-methoxy-3,5-dimethyl-, [1R[1.alpha.,6.alpha.(1E,3R*)]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-10-20(26)15(3)12-17(5)21-16(4)11-14(2)13-25(21,8)23-18(6)22(27)19(7)24(28-9)29-23/h11-13,15,21H,10H2,1-9H3/b17-12+/t15-,21-,25-/m1/s1
InChIKey VMPBWHTWVYLGEU-ILIXIYHTSA-N
Molecular Weight 398.543 g/mol
SMILES C1([C@]2([C@](C(C)=CC(=C2)C)(\C(=C\[C@](C(=O)CC)(C)[H])C)[H])C)=C(C(=O)C(=C(O1)OC)C)C