SpectraBase Spectrum ID |
13P5JSoPta7 |
Name |
2,5-Cyclohexadiene-1,4-dione, 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)- |
CAS Registry Number |
7200-28-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C53H80O3 |
InChI |
InChI=1S/C53H80O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37- |
InChIKey |
XLPIHYMHOSPCOZ-RLAZMVNUSA-N |
Molecular Weight |
765.220 g/mol |
SMILES |
C1(=C(C(=O)C=C(C1=O)OC)C)C\C=C/(CC\C=C\(CC\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)C)C |
SPLASH |
splash10-067i-4950000000-a41f1b7f67d997a3c0ef |
Source of Spectrum |
W-18-523-27 |
Synonyms |
5-Demethoxyubiquinone-9 |
Wiley ID |
1416616 |