| SpectraBase Spectrum ID |
44NAyCIbWbR |
| Name |
Fagaronine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19NO4 |
| InChI |
InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3 |
| InChIKey |
OOKZVPUCASIEBL-UHFFFAOYSA-N |
| Molecular Weight |
349.386 g/mol |
| SMILES |
c12[n+](cc3c(c2ccc2c1cc(OC)c(c2)[O-])cc(c(c3)OC)OC)C |
| SPLASH |
splash10-000j-0009000000-d791256ee9fe612a9c30 |
| Source of Spectrum |
AC-1994-721-1 |
| Synonyms |
2-Hydroxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridinium; chloride
2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridine |
| Wiley ID |
811804 |
