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2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadiene-1-yl)-8-hexadecenyl)-6-methyl-, (Z)-

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

2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadiene-1-yl)-8-hexadecenyl)-6-methyl-, (Z)-
SpectraBase Compound ID hyIIjg4q60
InChI InChI=1S/C30H40O8/c1-20-25(32)29(36)22(30(37)26(20)33)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(34)23(31)19-24(38-2)28(21)35/h3-4,19,32,34,37H,5-18H2,1-2H3/b4-3+
InChIKey KRSLVFPYJNSDEQ-ONEGZZNKSA-N
Mol Weight 528.6 g/mol
Molecular Formula C30H40O8
Exact Mass 528.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AQyBt2avwV
Name 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadiene-1-yl)-8-hexadecenyl)-6-methyl-, (Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.272318240 u
Formula C30H40O8
InChI InChI=1S/C30H40O8/c1-20-25(32)29(36)22(30(37)26(20)33)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(34)23(31)19-24(38-2)28(21)35/h3-4,19,32,34,37H,5-18H2,1-2H3/b4-3+
InChIKey KRSLVFPYJNSDEQ-ONEGZZNKSA-N
Molecular Weight 528.642 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)O)C