| SpectraBase Spectrum ID |
JKqRpAmjwCJ |
| Name |
benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxoheptyl)phenyl 2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 2'-O-methylmicrophyllinate-ethylene acetal
Benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H48O10 |
| InChI |
InChI=1S/C39H48O10/c1-5-7-10-16-30(40)20-28-21-32(24-34(45-4)36(28)37(42)46-26-27-14-11-9-12-15-27)49-38(43)35-29(22-31(44-3)23-33(35)41)25-39(17-13-8-6-2)47-18-19-48-39/h9,11-12,14-15,21-24,41H,5-8,10,13,16-20,25-26H2,1-4H3 |
| InChIKey |
ATNUGXLSQZERLB-UHFFFAOYSA-N |
| Molecular Weight |
676.803 g/mol |
| SMILES |
Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCC)cc(c1)OC |
| SPLASH |
splash10-0006-9000000000-200b3e847ad7604dc6b2 |
| Source of Spectrum |
B-50-483-22 |
| Wiley ID |
745681 |
![benzyl 4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate](/api/spectrum/JKqRpAmjwCJ/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-(2-oxoheptyl)benzoate")
