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Cyclobutanecarboxylic acid, 3-(3-ethoxy-1-methyl-3-oxo-1-propenyl)-4-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-2,4-butadienyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2-methyl-, ethyl ester, [1.alpha.,2.beta.(1E,3E,5E),3.beta.(E),4.alpha.(1E,3E)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Cyclobutanecarboxylic acid, 3-(3-ethoxy-1-methyl-3-oxo-1-propenyl)-4-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-2,4-butadienyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2-methyl-, ethyl ester, [1.alpha.,2.beta.(1E,3E,5E),3.beta.(E),4.alpha.(1E,3E)]-(.+-.)-
SpectraBase Compound ID 4t6k61P6n7N
InChI InChI=1S/C46H60O6/c1-14-51-42(47)27-32(6)43-37(11)44(45(48)52-15-2)46(43,28-29(3)22-23-39-31(5)26-41(50-13)36(10)34(39)8)24-20-18-16-17-19-21-38-30(4)25-40(49-12)35(9)33(38)7/h16-23,25-28,37,43-44H,14-15,24H2,1-13H3/b17-16+,20-18+,21-19+,23-22+,29-28+,32-27+/t37-,43+,44-,46+/m0/s1
InChIKey CCXNUBGEEOLMQA-CCGUSFLJSA-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 ABPvu9j9hM9
Name Cyclobutanecarboxylic acid, 3-(3-ethoxy-1-methyl-3-oxo-1-propenyl)-4-[4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-2,4-butadienyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2-methyl-, ethyl ester, [1.alpha.,2.beta.(1E,3E,5E),3.beta.(E),4.alpha.(1E,3E)]-(.+-.)-
Alternate Name(s) Ethyl (1R,2R,3S,4S)-3-[(1E)-3-ethoxy-1-methyl-3-oxo-1-propenyl]-2-[(2E,4E,6E)-7-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6-heptatrienyl]-2-[(1E,3E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-4-methylcyclobutanecarboxylate Ethyl (E)-3.alpha.-(ethoxycarbonyl)-2.alpha.-[(all-E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1,3-butadienyl]-4.beta.-[(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,2,5-hexatrienyl]-.alpha.-methyl-1.beta.-cyclobutane acrylate
CAS Registry Number 113432-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H60O6
InChI InChI=1S/C46H60O6/c1-14-51-42(47)27-32(6)43-37(11)44(45(48)52-15-2)46(43,28-29(3)22-23-39-31(5)26-41(50-13)36(10)34(39)8)24-20-18-16-17-19-21-38-30(4)25-40(49-12)35(9)33(38)7/h16-23,25-28,37,43-44H,14-15,24H2,1-13H3/b17-16+,20-18+,21-19+,23-22+,29-28+,32-27+/t37-,43+,44-,46+/m0/s1
InChIKey CCXNUBGEEOLMQA-CCGUSFLJSA-N
Molecular Weight 708.980 g/mol
SMILES [C@@]1([C@](\C(=C\C(=O)OCC)C)([C@@]([C@]1(C(=O)OCC)[H])(C)[H])[H])(\C=C\(\C=C\c1c(c(C)c(cc1C)OC)C)C)C\C=C\C=C\C=C\c1c(c(C)c(cc1C)OC)C
SPLASH splash10-0w29-0951000100-88543ff3110b5d0f73f0
Source of Spectrum F-43-1333-3
Wiley ID 1415293