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[5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxo-tetrahydropyran-4-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxo-tetrahydropyran-4-yl]methyl acetate
SpectraBase Compound ID 8PD4GQbyx3u
InChI InChI=1S/C22H34O4/c1-14-7-6-9-21(3,4)17-8-10-22(5,20(14)17)18-13-26-19(24)11-16(18)12-25-15(2)23/h16-18,20H,1,6-13H2,2-5H3/t16?,17-,18?,20-,22+/m1/s1
InChIKey BEESRRLXQIVBCJ-IREWIGOVSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tHmr9iUePn
Name [5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxo-tetrahydropyran-4-yl]methyl acetate
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Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14-7-6-9-21(3,4)17-8-10-22(5,20(14)17)18-13-26-19(24)11-16(18)12-25-15(2)23/h16-18,20H,1,6-13H2,2-5H3/t16?,17-,18?,20-,22+/m1/s1
InChIKey BEESRRLXQIVBCJ-IREWIGOVSA-N
Molecular Weight 362.510 g/mol
SMILES [C@]1([C@]2([C@@](C(CCCC2=C)(C)C)([H])CC1)[H])(C1C(CC(OC1)=O)COC(=O)C)C
SPLASH splash10-0006-9400000000-027b3c0ba3e535f0e582
Source of Spectrum B-46-663-0
Synonyms [5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxidanylidene-oxan-4-yl]methyl ethanoate [5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxooxan-4-yl]methyl acetate Acetic acid [5-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-oxo-4-oxanyl]methyl ester
Wiley ID 1349863