For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,4-Dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl hexa-2,4-dienoate, o,o-diacetyl
SpectraBase Compound ID 7gMlsQ27MsZ
InChI InChI=1S/C22H30O8/c1-5-7-8-14-20(25)29-19-13-10-9-12-18(27-15(3)23)21(28-16(4)24)17(11-6-2)30-22(19)26/h5,7-9,12,14,17-19,21H,6,10-11,13H2,1-4H3/b7-5+,12-9+,14-8+
InChIKey YIEDBQBSGKLDQQ-KRKAYDLTSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ll0i9DIMbz8
Name 3,4-Dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl hexa-2,4-dienoate, o,o-diacetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.194067918 u
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-5-7-8-14-20(25)29-19-13-10-9-12-18(27-15(3)23)21(28-16(4)24)17(11-6-2)30-22(19)26/h5,7-9,12,14,17-19,21H,6,10-11,13H2,1-4H3/b7-5+,12-9+,14-8+
InChIKey YIEDBQBSGKLDQQ-KRKAYDLTSA-N
Molecular Weight 422.474 g/mol
SMILES C1(OC(=O)C)C(OC(C)=O)\C=C\CCC(C(=O)OC1CCC)OC(\C=C\C=C\C)=O