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(1R*,4AS*,7E,11AS*,1'S*)-1-ACETOXY-4-(1'-ACETOXY-4'-METHYLPENT-3'-ENYL)-7-METHYL-11-METHYLENE-1,4A,5,6,9,10,11,11A-OCTAHYDROCYCLONONA-[C]-PYRANE

View entire compound with spectra: 5 NMR, and 1 MS (GC)

(1R*,4AS*,7E,11AS*,1'S*)-1-ACETOXY-4-(1'-ACETOXY-4'-METHYLPENT-3'-ENYL)-7-METHYL-11-METHYLENE-1,4A,5,6,9,10,11,11A-OCTAHYDROCYCLONONA-[C]-PYRANE
SpectraBase Compound ID 6DbjFGqIW7K
InChI InChI=1S/C24H34O5/c1-15(2)10-13-22(28-18(5)25)21-14-27-24(29-19(6)26)23-17(4)9-7-8-16(3)11-12-20(21)23/h8,10,14,20,22-24H,4,7,9,11-13H2,1-3,5-6H3/b16-8-
InChIKey TVJNNVZCBNICJU-PXNMLYILSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDZFznJATyo
Name 9-Deacetoxy-14,15-deepoxyxeniculin
Alternate Name(s) 1-[1-(acetyloxy)-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-4-methyl-3-pentenyl acetate
CAS Registry Number 74175-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-15(2)10-13-22(28-18(5)25)21-14-27-24(29-19(6)26)23-17(4)9-7-8-16(3)11-12-20(21)23/h8,10,14,20,22-24H,4,7,9,11-13H2,1-3,5-6H3/b16-8-
InChIKey TVJNNVZCBNICJU-PXNMLYILSA-N
Molecular Weight 402.531 g/mol
SMILES C=1(C2C(C(=C)CC\C=C/(CC2)C)C(OC1)OC(=O)C)C(OC(=O)C)CC=C(C)C
SPLASH splash10-053u-7096000000-3c78ca560f92f9229cdb
Source of Spectrum J-45-3822-0
Wiley ID 1370494