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1,3-Dioxo-5-hydroxy-2,2,6,6-tetramethyl-4-{1'-[(2",6"-dihydroxy-4"-methoxy-3"-(3"'-methyl-1"'-oxopropyl)phenyl]-3-methylbutyl}-4-cyclohexene

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1,3-Dioxo-5-hydroxy-2,2,6,6-tetramethyl-4-{1'-[(2",6"-dihydroxy-4"-methoxy-3"-(3"'-methyl-1"'-oxopropyl)phenyl]-3-methylbutyl}-4-cyclohexene
SpectraBase Compound ID L4TNTs35RX
InChI InChI=1S/C26H36O7/c1-12(2)10-14(18-22(30)25(5,6)24(32)26(7,8)23(18)31)17-15(27)11-16(33-9)19(21(17)29)20(28)13(3)4/h11-14,27,29-30H,10H2,1-9H3
InChIKey XAISDCTVYFCQEQ-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H36O7
Exact Mass 460.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab4jguHicm5
Name 1,3-Dioxo-5-hydroxy-2,2,6,6-tetramethyl-4-{1'-[(2'',6''-dihydroxy-4''-methoxy-3''-(3'''-methyl-1'''-oxopropyl)phenyl]-3-methylbutyl}-4-cyclohexene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.246103492 u
Formula C26H36O7
InChI InChI=1S/C26H36O7/c1-12(2)10-14(18-22(30)25(5,6)24(32)26(7,8)23(18)31)17-15(27)11-16(33-9)19(21(17)29)20(28)13(3)4/h11-14,27,29-30H,10H2,1-9H3
InChIKey XAISDCTVYFCQEQ-UHFFFAOYSA-N
Molecular Weight 460.567 g/mol
SMILES C1(=C(C(C)(C)C(C(C1=O)(C)C)=O)O)C(C1=C(C(C(=O)C(C)C)=C(C=C1O)OC)O)CC(C)C