| SpectraBase Spectrum ID |
J1GJqmCcjeK |
| Name |
2,5-[3',7',11-Trimethyl-1'-(isobut-1'''-enyl)trideca-3',7',11-triene-1',13-diyl]-3,6-diacetoxy-1,4-benzoquinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.266838938 u |
| Formula |
C30H38O6 |
| InChI |
InChI=1S/C30H38O6/c1-18(2)16-24-17-21(5)13-9-11-19(3)10-8-12-20(4)14-15-25-27(33)30(36-23(7)32)26(24)28(34)29(25)35-22(6)31/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-10+,20-14+,21-13+/t24-/m1/s1 |
| InChIKey |
GIUXIIMRVVEULZ-JDIMLGGSSA-N |
| Molecular Weight |
494.628 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)OC(=O)C)C\C=C\(CC\C=C\(CC\C=C\(C[C@]1(C=C(C)C)[H])C)C)C)OC(=O)C |
