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6-o-(9B-Hydroxy-6,6,9A-trimethyl-1-oxo-3,5,5A,7,8,9-hexahydrobenzo[E][2]benzofuran-5-yl) 1-o-methyl (2E,4E)-hexa-2,4-dienedioate

View entire compound with spectra: 1 NMR

6-o-(9B-Hydroxy-6,6,9A-trimethyl-1-oxo-3,5,5A,7,8,9-hexahydrobenzo[E][2]benzofuran-5-yl) 1-o-methyl (2E,4E)-hexa-2,4-dienedioate
SpectraBase Compound ID tbDmfYLbd3
InChI InChI=1S/C22H28O7/c1-20(2)10-7-11-21(3)18(20)15(12-14-13-28-19(25)22(14,21)26)29-17(24)9-6-5-8-16(23)27-4/h5-6,8-9,12,15,18,26H,7,10-11,13H2,1-4H3/b8-5+,9-6+
InChIKey JAGNFEYYASZAOT-XVYDYJIPSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6G2IhJ7NYLc
Name 6-o-(9B-Hydroxy-6,6,9A-trimethyl-1-oxo-3,5,5A,7,8,9-hexahydrobenzo[E][2]benzofuran-5-yl) 1-o-methyl (2E,4E)-hexa-2,4-dienedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.183503235 u
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-20(2)10-7-11-21(3)18(20)15(12-14-13-28-19(25)22(14,21)26)29-17(24)9-6-5-8-16(23)27-4/h5-6,8-9,12,15,18,26H,7,10-11,13H2,1-4H3/b8-5+,9-6+
InChIKey JAGNFEYYASZAOT-XVYDYJIPSA-N
Molecular Weight 404.459 g/mol
SMILES C(\C=C\C=C\C(=O)OC)(=O)OC1C2C(C3(C(OCC3=C1)=O)O)(C)CCCC2(C)C