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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,3S*)]]-
SpectraBase Compound ID K4xg4VZtBYb
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/h11-12,15H,10,13H2,1-9H3/b17-12+
InChIKey FFUJUBHFGMNHRF-SFQUDFHCSA-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 KasqeIWkCmn
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,3S*)]]-
CAS Registry Number 99148-24-0
Copyright Copyright © 2020-2024 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/h11-12,15H,10,13H2,1-9H3/b17-12+
InChIKey FFUJUBHFGMNHRF-SFQUDFHCSA-N
Molecular Weight 398.543 g/mol
SMILES C1(C2(C(=C(C)C=C(C2)C)\C(=C\C(C(=O)CC)C)C)C)=C(C(=O)C(=C(O1)OC)C)C
SPLASH splash10-0api-9712000000-c2e6e4275ad69e4b9e55
Source of Spectrum J-50-5641-6
Synonyms 2-{2-[(1E)-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
Wiley ID 1368606