| SpectraBase Spectrum ID |
2zL11uJpqlX |
| Name |
Helveticone |
| Alternate Name(s) |
2,5-Dihydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]benzo-1,4-quinone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+ |
| InChIKey |
ADRVEZVEKSCRHP-XGGJEREUSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
OC=1C(C(=C(C(C1)=O)O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O |
| SPLASH |
splash10-014l-9510000000-377ea3c1adf5c9987b89 |
| Source of Spectrum |
CD-554-0-0 |
| Wiley ID |
1338112 |
