| SpectraBase Spectrum ID |
8ebJAnXsPU5 |
| Name |
benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 4-(benzyloxy)-2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-hydroxybenzoate
Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H58O9 |
| InChI |
InChI=1S/C47H58O9/c1-4-6-8-10-18-24-37-28-40(31-42(51-3)44(37)45(49)53-34-36-22-16-13-17-23-36)56-46(50)43-38(32-47(54-26-27-55-47)25-19-11-9-7-5-2)29-39(30-41(43)48)52-33-35-20-14-12-15-21-35/h12-17,20-23,28-31,48H,4-11,18-19,24-27,32-34H2,1-3H3 |
| InChIKey |
ILSPEWHWHPTRHR-UHFFFAOYSA-N |
| Molecular Weight |
766.972 g/mol |
| SMILES |
Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCCCC)cc(c1)OCc1ccccc1 |
| SPLASH |
splash10-0006-9000000000-3b93f273feed88202d19 |
| Source of Spectrum |
JA-49-917-0 |
| Wiley ID |
1416657 |
![benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate](/api/spectrum/8ebJAnXsPU5/structure.png?h=300&w=458 "benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate")
