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ROQUEFORTIN;10B-(1,1-DIMETHYL-2-PROPENYL)-3-(IMIDAZOL-4-YLMETHYLENE)-5A,10B,11,11A-TETRAHYDRO-2H-PYRAZINO-[1'.2':1.5]-PYRROLO-[2.3-B]-INDOLE-1,4-(3
SpectraBase Compound ID LrGUkJAFQFQ
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-/t17-,20-,22+/m0/s1
InChIKey SPWSUFUPTSJWNG-LIMLNZRCSA-N
Mol Weight 389.46 g/mol
Molecular Formula C22H23N5O2
Exact Mass 389.185175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EV2OniBXsSG
Name ROQUEFORTIN;10B-(1,1-DIMETHYL-2-PROPENYL)-3-(IMIDAZOL-4-YLMETHYLENE)-5A,10B,11,11A-TETRAHYDRO-2H-PYRAZINO-[1'.2':1.5]-PYRROLO-[2.3-B]-INDOLE-1,4-(3
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/t17-,20-,22+/m0/s1
InChIKey SPWSUFUPTSJWNG-LIMLNZRCSA-N
Literature Reference Author N.G.VINOKUROVA,K.F.TURCHIN,B.P.BASKUNOV,M.U.ARINBASAROV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,868(2002)
Literature Reference DOI 10.1023/A:1020355524445
Molecular Weight 389.457 g/mol
Solvent CDCl3