| SpectraBase Spectrum ID |
5VcWJQKAbom |
| Name |
(-)-(S)-5-(4-Ethyl-3,8,10-trimethyl-2-oxo-1,11-dihydrodipyrrin-9-yl)hexanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N2O3 |
| InChI |
InChI=1S/C20H28N2O3/c1-6-15-12(3)20(25)22-17(15)10-16-13(4)19(14(5)21-16)11(2)8-7-9-18(23)24/h10-11,21H,6-9H2,1-5H3,(H,22,25)(H,23,24)/b17-10-/t11-/m0/s1 |
| InChIKey |
MVZNYVWGFSLNGI-MTUBTWAWSA-N |
| Molecular Weight |
344.455 g/mol |
| SMILES |
[nH]1c(c([C@](CCCC(=O)O)(C)[H])c(c1\C=C/1NC(C(=C1CC)C)=O)C)C |
| SPLASH |
splash10-052f-0049000000-a5ba0d950b31e55fffef |
| Source of Spectrum |
C-117-8736-3 |
| Synonyms |
(5S)-5-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}hexanoic acid |
| Wiley ID |
758965 |
