| SpectraBase Spectrum ID |
9Ewy6cMu6B |
| Name |
(S)-Celacinnine |
| Alternate Name(s) |
(2S)-9-[(E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one
(2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31N3O2 |
| InChI |
InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1 |
| InChIKey |
OROFOUPCOTVAJQ-NSFRLNINSA-N |
| Molecular Weight |
405.542 g/mol |
| SMILES |
N1CCCN(CCCCN[C@](c2ccccc2)(CC1=O)[H])C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-0kn9-0940200000-e3e2b7ac6964109cbe48 |
| Source of Spectrum |
K-2001-2929-1 |
| Wiley ID |
1579987 |
