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18-ACETOXY-4-OXODICTY-19-AL;(8S,9S,1E,4E)-9-(ACETOXYMETHYL)-8-[(R)-1,5-DIMETHYLHEX-4-ENYL]-5-METHYL-7-OXOCYCLONONA-1,4-DIENE-1-CARBALDEHYDE;CONFORMER-#12A

Compound with spectra: 2 NMR

18-ACETOXY-4-OXODICTY-19-AL;(8S,9S,1E,4E)-9-(ACETOXYMETHYL)-8-[(R)-1,5-DIMETHYLHEX-4-ENYL]-5-METHYL-7-OXOCYCLONONA-1,4-DIENE-1-CARBALDEHYDE;CONFORMER-#12A
SpectraBase Compound ID HPymqZ8zqCV
InChI InChI=1S/C22H32O4/c1-15(2)8-6-10-17(4)22-20(14-26-18(5)24)19(13-23)11-7-9-16(3)12-21(22)25/h8-9,11,13,17,20,22H,6-7,10,12,14H2,1-5H3/b16-9-,19-11-/t17-,20-,22+/m1/s1
InChIKey KXMYPONAVWYBHS-BIABXXRKSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol
Enantiomer InChIKey KXMYPONAVWYBHS-PUCJZMOSSA-N

View Spectrum of 18-ACETOXY-4-OXODICTY-19-AL;(8S,9S,1E,4E)-9-(ACETOXYMETHYL)-8-[(R)-1,5-DIMETHYLHEX-4-ENYL]-5-METHYL-7-OXOCYCLONONA-1,4-DIENE-1-CARBALDEHYDE;CONFORMER-#12A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 18-ACETOXY-4-OXODICTY-19-AL;(8S,9S,1E,4E)-9-(ACETOXYMETHYL)-8-[(R)-1,5-DIMETHYLHEX-4-ENYL]-5-METHYL-7-OXOCYCLONONA-1,4-DIENE-1-CARBALDEHYDE;CONFORMER-#12A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 18-ACETOXY-4-OXODICTY-19-AL;(8S,9S,1E,4E)-9-(ACETOXYMETHYL)-8-[(R)-1,5-DIMETHYLHEX-4-ENYL]-5-METHYL-7-OXOCYCLONONA-1,4-DIENE-1-CARBALDEHYDE;CONFORMER-#12B
(2R,3R,6E,9E,10R)-17-Xenic-6,9,13-trien-1-al-18-oic acid, lactone
(1R,4E,7E,9R,13S)-10-keto-4-methyl-13-(4-methylpent-3-enyl)-11-oxabicyclo[7.4.0]trideca-4,7-diene-8-carbaldehyde
Cyclonona[c]pyran-11-carboxaldehyde, 1,3,4,4a,5,6,9,11a-octahydro-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,7E,10E,11aS*)]-
(2R,3R,4S,6E,9E,10R)-17-Acetoxyxenic-4-hydroxy-6,9,13-triene-1,2-dial
Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-3-pentenylidene)-, (4Z,4aR*,7E,11aS*)-(+)-
Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aR*,7E,11aS*]-(+)-
Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenylidene)-, [4E(E),4aR*,7E,11aS*]-(+)-
ISIHCFKJFHDLCQ-JJUXZYAYSA-N
ACALYCIXENIOLIDE-J
(1S,9R,11S)-7,14-DIHYDROXY-12-ACETOXY-CARYOPHYLLA-2(15),5E-DIENE
Title Journal or Book Year
Xenicane Diterpenes Revisited: Thermal (E)?(Z) isomerization and conformational motions. A unifying picture Helvetica Chimica Acta 1994
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