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Ubiquinone-7
SpectraBase Compound ID EmmCXwDPX46
InChI InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+
InChIKey DBESHHFMIFSNRV-RJYQSXAYSA-N
Mol Weight 659.0 g/mol
Molecular Formula C44H66O4
Exact Mass 658.496111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvYZa9yd6jb
Name 2,5-Cyclohexadiene-1,4-dione, 2-((2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-5,6-dimethoxy-3-methyl-
CAS Registry Number 303-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H66O4
InChI InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+
InChIKey DBESHHFMIFSNRV-RJYQSXAYSA-N
Molecular Weight 659.008 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)C)C\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)OC)OC
SPLASH splash10-014j-9200000000-578d6ac5ba996898ee46
Source of Spectrum J-45-4103-0
Synonyms 2,5-Cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptenyl)-5,6-dimethoxy-3-methyl-, (all-E)- 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Coenzyme Q7 COQ7 Ubiquinone 35 Ubiquinone 7 Ubiquinone Q7 BRN 2406878
Wiley ID 1413508