![roquefortine (11a-(1,1-Dimethylallyl)-8-(imidazol-4-yl)dodecahydropyrazo[2,1-e]pyrrolo[2,3-b]indole)](/api/spectrum/8sIdPcrjLsz/structure.png?h=300&w=458 "roquefortine (11a-(1,1-Dimethylallyl)-8-(imidazol-4-yl)dodecahydropyrazo[2,1-e]pyrrolo[2,3-b]indole)")
| SpectraBase Compound ID | 7CvRjNRG0k1 |
|---|---|
| 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 |
| Mol Weight | 389.46 g/mol |
| Molecular Formula | C22H23N5O2 |
| Exact Mass | 389.185175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sIdPcrjLsz |
|---|---|
| Name | Roquefortine |
| CAS Registry Number | 58735-64-1 |
| Comments | C-13 ENRICHED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Literature Reference | C.P. Gorst-Allman, P.S. Steyn, R. Vleggar, J. Chem. Soc. Chem. Comm. 652 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |