| SpectraBase Spectrum ID |
KuQfMlhtgvK |
| Name |
Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-propylbenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.282882923 u |
| Formula |
C35H42O9 |
| InChI |
InChI=1S/C35H42O9/c1-5-7-11-15-35(42-16-17-43-35)22-26-19-27(39-3)20-29(36)31(26)34(38)44-28-18-25(12-6-2)32(30(21-28)40-4)33(37)41-23-24-13-9-8-10-14-24/h8-10,13-14,18-21,36H,5-7,11-12,15-17,22-23H2,1-4H3 |
| InChIKey |
FAPHUNABPGTRTO-UHFFFAOYSA-N |
| Molecular Weight |
606.712 g/mol |
| SMILES |
C1(C(OC=2C=C(OC)C(=C(C2)CCC)C(OCC2=CC=CC=C2)=O)=O)=C(CC2(OCCO2)CCCCC)C=C(C=C1O)OC |
![Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-propylbenzoate](/api/spectrum/KuQfMlhtgvK/structure.png?h=300&w=458 "Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-propylbenzoate")
