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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2fv9ITtJgt
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-
CAS Registry Number 55822-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC1=C(C(c2c(c(c(c(c2O)C(=O)CCC)O)C(C2=C(C(C)(C)C(C(C2=O)(C)C)=O)O)C(C)C)O)C(C)C)C(C(C(C1(C)C)=O)(C)C)=O
SPLASH splash10-0l6r-1931003000-81d71fa7378072cbb09e
Source of Spectrum F-30-993-3
Synonyms 4-(1-{3-butyryl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-2-methylpropyl]phenyl}-2-methylpropyl)-5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione 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- Myrtucommulone 5-Hydroxy-2,2,6,6-tetramethyl-4-[2-methyl-1-[2,4,6-trihydroxy-3-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexenyl)-2-methylpropyl]-5-(1-oxobutyl)phenyl]propyl]cyclohex-4-ene-1,3-dione 4-[1-[3-butanoyl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]phenyl]-2-methylpropyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione 4-[1-[3-butanoyl-2,4,6-trihydroxy-5-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-cyclohexen-1-yl)-2-methyl-propyl]phenyl]-2-methyl-propyl]-5-hydroxy-2,2,6,6-tetramethyl-cyclohex-4-ene-1,3-dione 4-[1-[3-butanoyl-5-[2-methyl-1-[3,3,5,5-tetramethyl-2-oxidanyl-4,6-bis(oxidanylidene)cyclohexen-1-yl]propyl]-2,4,6-tris(oxidanyl)phenyl]-2-methyl-propyl]-2,2,6,6-tetramethyl-5-oxidanyl-cyclohex-4-ene-1,3-dione
Wiley ID 1413856