| SpectraBase Compound ID | JEBobVGIE0i |
|---|---|
| InChI | InChI=1S/C27H33N3O6/c1-34-23-17-20-18-24(35-2)21(23)8-11-27(33)29-14-4-3-12-28-13-5-15-30-26(32)10-7-19-6-9-22(31)25(16-19)36-20/h6-11,16-18,28,31H,3-5,12-15H2,1-2H3,(H,29,33)(H,30,32)/b10-7+,11-8+ |
| InChIKey | NUYJJSYIZAZKPD-AMMQDNIMSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C27H33N3O6 |
| Exact Mass | 495.236936 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B029kvvpEau |
|---|---|
| Name | Capparisinine |
| CAS Registry Number | 105694-42-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H33N3O6 |
| InChI | InChI=1S/C27H33N3O6/c1-34-23-17-20-18-24(35-2)21(23)8-11-27(33)29-14-4-3-12-28-13-5-15-30-26(32)10-7-19-6-9-22(31)25(16-19)36-20/h6-11,16-18,28,31H,3-5,12-15H2,1-2H3,(H,29,33)(H,30,32)/b10-7+,11-8+ |
| InChIKey | NUYJJSYIZAZKPD-AMMQDNIMSA-N |
| Molecular Weight | 495.576 g/mol |
| SMILES | N1CCCCNCCCNC(\C=C\c2cc(c(cc2)O)Oc2cc(OC)c(c(c2)OC)\C=C\C1=O)=O |
| SPLASH | splash10-03di-0961100000-c37e2493e56eac95d86e |
| Source of Spectrum | W5-1989-38806-26730 |
| Wiley ID | 1398088 |