| SpectraBase Spectrum ID |
HbGmJGnOMXE |
| Name |
benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-methoxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxononyl)phenyl 4-(benzyloxy)-2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-methoxybenzoate
Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-methoxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H62O10 |
| InChI |
InChI=1S/C50H62O10/c1-5-7-9-11-19-25-41(51)29-39-30-43(33-45(55-4)46(39)48(52)57-36-38-23-17-14-18-24-38)60-49(53)47-40(34-50(58-27-28-59-50)26-20-12-10-8-6-2)31-42(32-44(47)54-3)56-35-37-21-15-13-16-22-37/h13-18,21-24,30-33H,5-12,19-20,25-29,34-36H2,1-4H3 |
| InChIKey |
VNXRCJLHIFAVPV-UHFFFAOYSA-N |
| Molecular Weight |
823.036 g/mol |
| SMILES |
c1(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCCCC)cc(cc1OC)OCc1ccccc1 |
| SPLASH |
splash10-0006-9000000000-5841cf75598c72f7836b |
| Source of Spectrum |
JA-49-917-0 |
| Wiley ID |
1417461 |
![benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-methoxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate](/api/spectrum/HbGmJGnOMXE/structure.png?h=300&w=458 "benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-methoxybenzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate")
