| SpectraBase Spectrum ID |
9yZCGiw0Yf6 |
| Name |
Reninerone - N-(3-oxo-1'-butenyl) - derivative |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23NO6 |
| InChI |
InChI=1S/C21H23NO6/c1-6-12(2)21(26)28-11-16-17-15(8-10-22(16)9-7-13(3)23)18(24)14(4)20(27-5)19(17)25/h6-10,16H,11H2,1-5H3/b9-7+,12-6- |
| InChIKey |
PUTNBDBETDXSKU-OHFWFHSGSA-N |
| Molecular Weight |
385.416 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)OC)C)C=CN(C1COC(\C(=C/C)C)=O)\C=C\C(=O)C |
| SPLASH |
splash10-00di-0091000000-067c2d2929ad88050ebc |
| Source of Spectrum |
G4-59-975-1 |
| Synonyms |
(Z)-2-methyl-2-butenoic acid [7-methoxy-6-methyl-5,8-dioxo-2-[(E)-3-oxobut-1-enyl]-1H-isoquinolin-1-yl]methyl ester
[7-methoxy-6-methyl-5,8-dioxo-2-[(E)-3-oxobut-1-enyl]-1H-isoquinolin-1-yl]methyl (Z)-2-methylbut-2-enoate
[7-methoxy-6-methyl-5,8-bis(oxidanylidene)-2-[(E)-3-oxidanylidenebut-1-enyl]-1H-isoquinolin-1-yl]methyl (Z)-2-methylbut-2-enoate |
| Wiley ID |
1606517 |
