Roquefortine E

Roquefortine E is a diketopiperazine fungal metabolite produced by G. reessii. It has been found as a contaminant in dried milled silage animal feed.Formal Name: (3E,5aS,10bR,11aS)-10b-(1,1-dimethyl-2-propen-1-yl)-3-[[5-(1,1-dimethyl-2-propen-1-yl)-1H-imidazol-4-yl]methylene]-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione. CAS Number: 871982-52-4. Molecular Formula: C27H31N5O2. Formula Weight: 457.6. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: Soluble, DMSO: Soluble, Ethanol: Soluble, Methanol: Soluble. SMILES: CC([C@]12C3=CC=CC=C3N[C@]1(N([C@](C2)([H])C(N/4)=O)C(C4=C/C5=C(C(C)(C)C=C)N=CN5)=O)[H])(C=C)C. InChi Code: InChI=1S/C27H31N5O2/c1-7-25(3,4)21-18(28-15-29-21)13-19-23(34)32-20(22(33)30-19)14-27(26(5,6)8-2)16-11-9-10-12-17(16)31-24(27)32/h7-13,15,20,24,31H,1-2,14H2,3-6H3,(H,28,29)(H,30,33)/b19-13+/t20-,24-,27+/m0/s1. InChi Key: YOEIOWQHMDDCDD-HJILTBFVSA-N. Origin: Fungus/Gymnoascus reesii.