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Decarboxyalectoronic acid

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

Decarboxyalectoronic acid
SpectraBase Compound ID 3KxchCgfGmY
InChI InChI=1S/C27H32O7/c1-3-5-7-9-19(28)11-17-12-21(30)15-23-25(17)27(32)34-24-16-22(31)14-18(26(24)33-23)13-20(29)10-8-6-4-2/h12,14-16,30-31H,3-11,13H2,1-2H3
InChIKey HMZRAYILENWXEP-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C27H32O7
Exact Mass 468.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VILsfB6EHl
Name Decarboxyalectoronic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.214803363 u
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-3-5-7-9-19(28)11-17-12-21(30)15-23-25(17)27(32)34-24-16-22(31)14-18(26(24)33-23)13-20(29)10-8-6-4-2/h12,14-16,30-31H,3-11,13H2,1-2H3
InChIKey HMZRAYILENWXEP-UHFFFAOYSA-N
Molecular Weight 468.546 g/mol
SMILES C1(C=2C(OC3=C(O1)C=C(C=C3CC(=O)CCCCC)O)=CC(=CC2CC(=O)CCCCC)O)=O