| SpectraBase Spectrum ID |
1s5O3hFYNos |
| Name |
(+)-(S)-6-(4-Ethyl-3,8,10-trimethyl-2-oxo-1,11-dihydrodipyrrin-9-yl)heptanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30N2O3 |
| InChI |
InChI=1S/C21H30N2O3/c1-6-16-13(3)21(26)23-18(16)11-17-14(4)20(15(5)22-17)12(2)9-7-8-10-19(24)25/h11-12,22H,6-10H2,1-5H3,(H,23,26)(H,24,25)/b18-11-/t12-/m0/s1 |
| InChIKey |
LZMHSDZAJNAQOC-SJWFJVLYSA-N |
| Molecular Weight |
358.482 g/mol |
| SMILES |
[nH]1c(c([C@](CCCCC(=O)O)(C)[H])c(c1\C=C/1NC(C(=C1CC)C)=O)C)C |
| SPLASH |
splash10-0a4i-0039000000-bc13710b116f9a7bd1a8 |
| Source of Spectrum |
C-117-8736-4 |
| Synonyms |
(6S)-6-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}heptanoic acid |
| Wiley ID |
758964 |
