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3-Cyclohexene-1,2-dicarboxylic acid, 5-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-6-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-3,6-dimethyl-, diethyl ester, [1.alpha.,2.alpha.,5.alpha.(1E,3E),6.alpha.(1E,3E,5E)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3-Cyclohexene-1,2-dicarboxylic acid, 5-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-6-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-3,6-dimethyl-, diethyl ester, [1.alpha.,2.alpha.,5.alpha.(1E,3E),6.alpha.(1E,3E,5E)]-(.+-.)-
SpectraBase Compound ID GPO5OrouYqf
InChI InChI=1S/C46H60O6/c1-15-51-44(47)42-32(7)25-37(24-29(4)20-22-39-31(6)27-41(50-14)36(11)34(39)9)46(12,43(42)45(48)52-16-2)23-17-18-28(3)19-21-38-30(5)26-40(49-13)35(10)33(38)8/h17-27,37,42-43H,15-16H2,1-14H3/b21-19+,22-20+,23-17+,28-18+,29-24+/t37-,42+,43-,46-/m0/s1
InChIKey CBCOOHFMYHYALY-KDPUYIHISA-N
Mol Weight 709.0 g/mol
Molecular Formula C46H60O6
Exact Mass 708.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2CfiyXI0tk
Name 3-Cyclohexene-1,2-dicarboxylic acid, 5-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-6-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-3,6-dimethyl-, diethyl ester, [1.alpha.,2.alpha.,5.alpha.(1E,3E),6.alpha.(1E,3E,5E)]-(.+-.)-
Alternate Name(s) Diethyl (1R,2S,5S,6S)-5-[(1E,3E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-6-[(1E,3E,5E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-3,6-dimethyl-3-cyclohexene-1,2-dicarboxylate Diethyl 6.alpha.-[(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-5.alpha.-[(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-3,6-dimethyl-3-cyclohexene-1.beta.,2.alpha.-dicarboxylate Diethyl l6.alpha.-[(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-5.alpha.-[(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-3,6-dimethyl-3-cyclohexene-1.beta.,2.alpha.-dicarboxylate
CAS Registry Number 120591-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H60O6
InChI InChI=1S/C46H60O6/c1-15-51-44(47)42-32(7)25-37(24-29(4)20-22-39-31(6)27-41(50-14)36(11)34(39)9)46(12,43(42)45(48)52-16-2)23-17-18-28(3)19-21-38-30(5)26-40(49-13)35(10)33(38)8/h17-27,37,42-43H,15-16H2,1-14H3/b21-19+,22-20+,23-17+,28-18+,29-24+/t37-,42+,43-,46-/m0/s1
InChIKey CBCOOHFMYHYALY-KDPUYIHISA-N
Molecular Weight 708.980 g/mol
SMILES [C@]1([C@]([C@@](\C=C\(\C=C\c2c(c(C)c(cc2C)OC)C)C)(C=C([C@]1(C(=O)OCC)[H])C)[H])(\C=C\C=C\(\C=C\c1c(c(C)c(cc1C)OC)C)C)C)(C(=O)OCC)[H]
SPLASH splash10-0udi-0956000000-cc6307321e67086309c7
Source of Spectrum F-44-1049-2
Wiley ID 1415294