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Isoxeniolide A
SpectraBase Compound ID FQXg1NqwsCg
InChI InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6-
InChIKey ZHNTWXWAMWPYNI-PWKWQSIBSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BntOyrxm0iT
Name Isoxeniolide A
Alternate Name(s) (4Z,7Z)-9-hydroxy-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one (4Z,7Z)-9-hydroxy-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one (4Z,7Z)-7-methyl-11-methylidene-4-[(E)-4-methyl-4-oxidanyl-pent-2-enylidene]-9-oxidanyl-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one
CAS Registry Number 71117-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6-
InChIKey ZHNTWXWAMWPYNI-PWKWQSIBSA-N
Molecular Weight 332.440 g/mol
SMILES OC1CC(C2C(\C(=C\C=C\C(O)(C)C)C(OC2)=O)CC\C(=C/1)C)=C
SPLASH splash10-0089-0839000000-cd9b4fc69010af1e7b08
Source of Spectrum AN-88-76-0
Wiley ID 1329610