| SpectraBase Spectrum ID |
1Dv7VtrHmUT |
| Name |
roquefortine (11a-(1,1-Dimethylallyl)-8-(imidazol-4-yl)dodecahydropyrazo[2,1-e]pyrrolo[2,3-b]indole) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23N5O2 |
| InChI |
InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+ |
| InChIKey |
SPWSUFUPTSJWNG-CXUHLZMHSA-N |
| Molecular Weight |
389.459 g/mol |
| SMILES |
N1c2ccccc2C2(C1N1C(C(N\C(C1=O)=C\c1nc[nH]c1)=O)C2)C(C=C)(C)C |
| SPLASH |
splash10-00di-0009000000-db8f7ea38a73ad86269e |
| Source of Spectrum |
F-49-10667-2 |
| Wiley ID |
788897 |
![roquefortine (11a-(1,1-Dimethylallyl)-8-(imidazol-4-yl)dodecahydropyrazo[2,1-e]pyrrolo[2,3-b]indole)](/api/spectrum/1Dv7VtrHmUT/structure.png?h=300&w=458 "roquefortine (11a-(1,1-Dimethylallyl)-8-(imidazol-4-yl)dodecahydropyrazo[2,1-e]pyrrolo[2,3-b]indole)")
