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4-Cyclohexene-1,3-dione, 4,4'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(2-methylpropylidene)]bis[5-hydroxy-2,2,6,6-tetramethyl-

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

4-Cyclohexene-1,3-dione, 4,4'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(2-methylpropylidene)]bis[5-hydroxy-2,2,6,6-tetramethyl-
SpectraBase Compound ID HiyUIazcLHS
InChI InChI=1S/C38H52O10/c1-14-15-18(39)21-26(40)22(19(16(2)3)24-29(43)35(6,7)33(47)36(8,9)30(24)44)28(42)23(27(21)41)20(17(4)5)25-31(45)37(10,11)34(48)38(12,13)32(25)46/h16-17,19-20,40-43,45H,14-15H2,1-13H3
InChIKey QRKOGOSZQMENRN-UHFFFAOYSA-N
Mol Weight 668.8 g/mol
Molecular Formula C38H52O10
Exact Mass 668.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJ1YjlOoARb
Name 4-Cyclohexene-1,3-dione, 4,4'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(2-methylpropylidene)]bis[5-hydroxy-2,2,6,6-tetramethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.356047864 u
Formula C38H52O10
InChI InChI=1S/C38H52O10/c1-14-15-18(39)21-26(40)22(19(16(2)3)24-29(43)35(6,7)33(47)36(8,9)30(24)44)28(42)23(27(21)41)20(17(4)5)25-31(45)37(10,11)34(48)38(12,13)32(25)46/h16-17,19-20,40-43,45H,14-15H2,1-13H3
InChIKey QRKOGOSZQMENRN-UHFFFAOYSA-N
Molecular Weight 668.824 g/mol
SMILES C1(=C(C(C)(C)C(C(C1=O)(C)C)=O)O)C(C=1C(=C(C(C2=C(C(C)(C)C(C(C2=O)(C)C)=O)O)C(C)C)C(=C(C1O)C(=O)CCC)O)O)C(C)C