| SpectraBase Spectrum ID |
KG7juoEEPbw |
| Name |
[5-Ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-methylbut-2-enoate, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.230847349 u |
| Formula |
C27H36O10 |
| InChI |
InChI=1S/C27H36O10/c1-10-27(8)13-21(37-25(31)15(2)11-12-34-18(5)28)22(17(4)26(32)33-9)24(36-20(7)30)23(27)16(3)14-35-19(6)29/h10-11,21-24H,1,3-4,12-14H2,2,5-9H3/b15-11- |
| InChIKey |
GUIABFQFLPOBNE-PTNGSMBKSA-N |
| Molecular Weight |
520.575 g/mol |
| SMILES |
C(\C(=C/COC(=O)C)C)(=O)OC1C(C(C(C(C1)(C)C=C)C(=C)COC(=O)C)OC(=O)C)C(=C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861252 |
![[5-Ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-methylbut-2-enoate, 2ac derivative](/api/spectrum/KG7juoEEPbw/structure.png?h=300&w=458 "[5-Ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-methylbut-2-enoate, 2ac derivative")
