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Ardisiaquinone D

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

Ardisiaquinone D
SpectraBase Compound ID EPHGN4V3un8
InChI InChI=1S/C31H42O8/c1-21-26(33)29(36)23(30(37)31(21)39-3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22-27(34)24(32)20-25(38-2)28(22)35/h4-5,20,34,36H,6-19H2,1-3H3/b5-4+
InChIKey CEYKFDJEGPDJSH-SNAWJCMRSA-N
Mol Weight 542.7 g/mol
Molecular Formula C31H42O8
Exact Mass 542.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3jN52tyX1s
Name Ardisiaquinone D
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.287968304 u
Formula C31H42O8
InChI InChI=1S/C31H42O8/c1-21-26(33)29(36)23(30(37)31(21)39-3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22-27(34)24(32)20-25(38-2)28(22)35/h4-5,20,34,36H,6-19H2,1-3H3/b5-4+
InChIKey CEYKFDJEGPDJSH-SNAWJCMRSA-N
Molecular Weight 542.669 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)O)CCCCCCC\C=C\CCCCCCCC1=C(C(=O)C=C(C1=O)OC)O)OC)C