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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.beta.(1E,3E),6.beta.(1E,3E,5Z)]-(.+-.)-

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.beta.(1E,3E),6.beta.(1E,3E,5Z)]-(.+-.)-
SpectraBase Compound ID Btau8m1z0BI
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+/m1/s1
InChIKey CBCOOHFMYHYALY-RYEUNTAGSA-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 9LM6v6loWwd
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.beta.(1E,3E),6.beta.(1E,3E,5Z)]-(.+-.)-
CAS Registry Number 120664-46-2
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+/m1/s1
InChIKey CBCOOHFMYHYALY-RYEUNTAGSA-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-0955000000-7a7299f22b0bd9bc8aaf
Source of Spectrum F-44-1052-3
Synonyms Diethyl (1R,2S,5R,6S)-5-[(1Z,3E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-6-[(1E,3E,5Z)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-3,6-dimethyl-3-cyclohexene-1,2-dicarboxylate Diethyl 6.beta.-[(1E,3E,5Z)-6-(6-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
Wiley ID 1415296