| SpectraBase Spectrum ID |
J2VQ9sEhMmp |
| Name |
benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 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-methoxybenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H54O9 |
| InChI |
InChI=1S/C41H54O9/c1-5-7-9-11-16-20-31-24-34(27-36(46-4)38(31)39(43)47-29-30-18-14-13-15-19-30)50-40(44)37-32(25-33(45-3)26-35(37)42)28-41(48-22-23-49-41)21-17-12-10-8-6-2/h13-15,18-19,24-27,42H,5-12,16-17,20-23,28-29H2,1-4H3 |
| InChIKey |
VWGFORXZTAFYHE-UHFFFAOYSA-N |
| Molecular Weight |
690.874 g/mol |
| SMILES |
Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCCCC)cc(c1)OC |
| SPLASH |
splash10-0006-9000000000-3b93f273feed88202d19 |
| Source of Spectrum |
JA-49-917-0 |
| Wiley ID |
1414681 |
![benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate](/api/spectrum/J2VQ9sEhMmp/structure.png?h=300&w=458 "benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate")
