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3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, (all-E)-

View entire compound with spectra: 1 MS (GC)

3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, (all-E)-
SpectraBase Compound ID 9pWynlZ6SQh
InChI InChI=1S/C38H44O4/c1-25(17-13-19-27(3)21-23-31-29(5)33(39)35(41)37(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(40)36(42)38(32,9)10/h11-24H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+
InChIKey DXGGDMSNCNNMOK-KNZSRCDBSA-N
Mol Weight 564.8 g/mol
Molecular Formula C38H44O4
Exact Mass 564.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4W4TmiABjz4
Name 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, (all-E)-
CAS Registry Number 22453-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44O4
InChI InChI=1S/C38H44O4/c1-25(17-13-19-27(3)21-23-31-29(5)33(39)35(41)37(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(40)36(42)38(32,9)10/h11-24H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+
InChIKey DXGGDMSNCNNMOK-KNZSRCDBSA-N
Molecular Weight 564.766 g/mol
SMILES C\C(=C/C=C/C=C\(C)\C=C\C=C/(C)\C=C\C1=C(C)C(=O)C(=O)C1(C)C)\C=C\C=C/(C)\C=C\C1=C(C)C(=O)C(=O)C1(C)C
SPLASH splash10-03di-0005490000-e1f58cced411cee29b37
Source of Spectrum S-23-3297-3
Synonyms 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-1-cyclopentenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-cyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,5,5-trimethyl-3,4-bis(oxidanylidene)cyclopenten-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis*3,5,5-trimethyl- 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis*3,5,5-trimethyl-, (all-E)- 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl- 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenylene)bis*3,5,5-trimethyl-, (all-E)- 3-Cyclopentene-1,2-dione, 4,4'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenylene)bis[3,5,5-trimethyl-, (all-E)- 4,4'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17- octadecanonaene-1,18-diyl)bis(3,5,5-trimethyl-3- cyclopentene-1,2-dione) 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3,4-diketo-2,5,5-trimethyl-cyclopenten-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclopent-3-ene-1,2-quinone Violerythrin
Wiley ID 1407194