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(7-Z,12-Z)-Variabilin acetate

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

(7-Z,12-Z)-Variabilin acetate
SpectraBase Compound ID 3eCZni7fDWp
InChI InChI=1S/C27H36O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3/b19-9-,20-12-,25-17-
InChIKey ZMYVRGGXCKGPQC-JVAKBPMXSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3G66LyhE6c
Name 1-(3'-Furyl)-13-(5"-oxo-4"-methyl-3''-acetoxy-2",5"-dihydro-2"-furyl)-4,8,12-trimethyl-trideca-3,7-dienyl-13-ylidene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3/b19-9-,20-12-,25-17-
InChIKey ZMYVRGGXCKGPQC-JVAKBPMXSA-N
Molecular Weight 440.580 g/mol
SMILES C1(=C(\C(=C\C(CCC\C(=C/CC\C(=C/CCc2cocc2)C)C)C)OC1=O)OC(=O)C)C
SPLASH splash10-001i-9710000000-d201cbfdede7111d49a9
Source of Spectrum X2-46-260-6
Synonyms (2Z)-2-[(6Z,10Z)-13-(3-furyl)-2,6,10-trimethyl-6,10-tridecadienylidene]-4-methyl-5-oxo-2,5-dihydro-3-furanyl acetate Acetic acid[(2Z)-2-[(6Z,10Z)-13-(3-furanyl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methyl-5-oxo-3-furanyl]ester Acetic acid[(2Z)-2-[(6Z,10Z)-13-(3-furyl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-5-keto-4-methyl-3-furyl]ester [(2Z)-2-[(6Z,10Z)-13-(3-furyl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methyl-5-oxo-3-furyl]acetate [(2Z)-2-[(6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methyl-5-oxidanylidene-furan-3-yl]ethanoate [(2Z)-2-[(6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methyl-5-oxofuran-3-yl]acetate Acetic acid [(2Z)-2-[(6Z,10Z)-13-(3-furanyl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methyl-5-oxo-3-furanyl] ester [(2Z)-2-[(6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methyl-5-oxofuran-3-yl] acetate [(2Z)-2-[(6Z,10Z)-13-(3-furyl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methyl-5-oxo-3-furyl] acetate [(2Z)-2-[(6Z,10Z)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methyl-5-oxidanylidene-furan-3-yl] ethanoate
Wiley ID 1601105