| SpectraBase Compound ID | H3QIplHaRn0 |
|---|---|
| InChI | InChI=1S/C22H21NO6/c1-12(24)29-21-10-15-13(8-19(21)27-3)5-6-23-17(15)7-14-9-18(26-2)20(28-4)11-16(14)22(23)25/h7-11H,5-6H2,1-4H3 |
| InChIKey | NLLXCAHTBSCZBT-UHFFFAOYSA-N |
| Mol Weight | 395.41 g/mol |
| Molecular Formula | C22H21NO6 |
| Exact Mass | 395.136887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GGBAW7ECALq |
|---|---|
| Name | Cerasonine - 2-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21NO6 |
| InChI | InChI=1S/C22H21NO6/c1-12(24)29-21-10-15-13(8-19(21)27-3)5-6-23-17(15)7-14-9-18(26-2)20(28-4)11-16(14)22(23)25/h7-11H,5-6H2,1-4H3 |
| InChIKey | NLLXCAHTBSCZBT-UHFFFAOYSA-N |
| Molecular Weight | 395.411 g/mol |
| SMILES | C1=2N(C(=O)c3c(C2)cc(c(OC)c3)OC)CCc2c1cc(OC(=O)C)c(c2)OC |
| SPLASH | splash10-0uds-0009000000-907607eb123fd027a4be |
| Source of Spectrum | G4-60-110-2 |
| Synonyms | Acetic acid (3,10,11-trimethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-2-yl) ester (3,10,11-trimethoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-2-yl) acetate (3,10,11-trimethoxy-8-oxidanylidene-5,6-dihydroisoquinolino[2,1-b]isoquinolin-2-yl) ethanoate |
| Wiley ID | 1606578 |