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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RsrQVCSfdH
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*)]]-
CAS Registry Number 99265-40-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
SPLASH splash10-08gl-3569000000-e5e41473bd0666097d54
Source of Spectrum J-50-5641-5
Synonyms 2-{(1R,6S)-6-[(1E,3R)-1,3-dimethyl-4-oxo-1-hexenyl]-1,3,5-trimethyl-2,4-cyclohexadien-1-yl}-6-methoxy-3,5-dimethyl-4H-pyran-4-one 2-Methoxy-3,5-dimethyl-6-[(1R,6S)-1,3,5-trimethyl-6-[(E,4R)-4-methyl-5-oxohept-2-en-2-yl]-1-cyclohexa-2,4-dienyl]-4-pyranone 2-Methoxy-3,5-dimethyl-6-[(1R,6S)-1,3,5-trimethyl-6-[(E,4R)-4-methyl-5-oxohept-2-en-2-yl]cyclohexa-2,4-dien-1-yl]pyran-4-one 2-[(1R,6S)-6-[(E,3R)-1,3-dimethyl-4-oxo-hex-1-enyl]-1,3,5-trimethyl-cyclohexa-2,4-dien-1-yl]-6-methoxy-3,5-dimethyl-pyran-4-one 2-Methoxy-3,5-dimethyl-6-[(1R,6S)-1,3,5-trimethyl-6-[(E,4R)-4-methyl-5-oxidanylidene-hept-2-en-2-yl]cyclohexa-2,4-dien-1-yl]pyran-4-one
Wiley ID 1368604