| SpectraBase Spectrum ID |
gQFwHFemP4 |
| Name |
benzyl 6-heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-hydroxybenzoate |
| Alternate Name(s) |
4-{[(2-heptyl-6-hydroxybenzyl)oxy]carbonyl}phenyl 2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-hydroxy-4-methoxybenzoate
Benzyl 6-heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-hydroxybenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H52O9 |
| InChI |
InChI=1S/C40H52O9/c1-4-6-8-10-12-15-29-16-14-17-35(41)34(29)28-46-38(43)30-18-20-32(21-19-30)49-39(44)37-31(25-33(45-3)26-36(37)42)27-40(47-23-24-48-40)22-13-11-9-7-5-2/h14,16-21,25-26,41-42H,4-13,15,22-24,27-28H2,1-3H3 |
| InChIKey |
FOWUBYXOPRDIBF-UHFFFAOYSA-N |
| Molecular Weight |
676.847 g/mol |
| SMILES |
Oc1c(COC(c2ccc(OC(c3c(cc(cc3CC3(OCCO3)CCCCCCC)OC)O)=O)cc2)=O)c(ccc1)CCCCCCC |
| SPLASH |
splash10-0006-9000000000-9945d2821f6c4c52976d |
| Source of Spectrum |
JA-50-479-0 |
| Wiley ID |
1414184 |
![benzyl 6-heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-hydroxybenzoate](/api/spectrum/gQFwHFemP4/structure.png?h=300&w=458 "benzyl 6-heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-hydroxybenzoate")
