| SpectraBase Spectrum ID |
B1NlVolvzKC |
| Name |
Methyl isoanhydroberberilate |
| Alternate Name(s) |
6-(2-glycoloyl-3,4-dimethoxybenzoyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one |
| CAS Registry Number |
65628-84-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19NO8 |
| InChI |
InChI=1S/C21H19NO8/c1-27-15-4-3-12(18(14(24)9-23)19(15)28-2)20(25)22-6-5-11-7-16-17(30-10-29-16)8-13(11)21(22)26/h3-4,7-8,23H,5-6,9-10H2,1-2H3 |
| InChIKey |
SLFWMOGGLAZMTM-UHFFFAOYSA-N |
| Molecular Weight |
413.382 g/mol |
| SMILES |
OCC(c1c(C(N2C(c3cc4OCOc4cc3CC2)=O)=O)ccc(OC)c1OC)=O |
| SPLASH |
splash10-01x0-0359300000-6ce340d707602d4bb540 |
| Source of Spectrum |
J-44-4341-0 |
| Wiley ID |
1374982 |
