| SpectraBase Spectrum ID |
7vmidrmsIO1 |
| Name |
1-Acetyl-9-(1'-oxo-3'-phenylprop-2'-enyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33N3O3 |
| InChI |
InChI=1S/C27H33N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-16,25H,8-10,17-21H2,1H3,(H,28,32)/b16-15+/t25-/m0/s1 |
| InChIKey |
TUSQTPSIXKIHQH-DACFSCGWSA-N |
| Molecular Weight |
447.579 g/mol |
| SMILES |
N1CCCN(CCCCN([C@@](CC1=O)(c1ccccc1)[H])C(=O)C)C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-100r-2902700000-5d68e1708111d10d0d18 |
| Source of Spectrum |
H-80-1807-7 |
| Synonyms |
(.+-.)-N-Acetylcelacinnine
(S)-1-Acetyl-9-(1'-oxo-3'-phenylprop-2'-enyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one
1,5,9-Triazacyclotridecan-4-one, 1-acetyl-9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, (E)-(.+-.)-
1-Acetyl-2-phenyl-9-[(2E)-3-phenyl-2-propenoyl]-1,5,9-triazacyclotridecan-4-one
N-acetyl-(.+-.)-Celacinnine |
| Wiley ID |
1386971 |
