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ISOCHLORIN-E4
SpectraBase Compound ID IL3Yl7dzc2N
InChI InChI=1S/C33H36N4O4/c1-7-20-18(5)26-15-30-21(8-2)17(4)25(35-30)14-27-19(6)22(9-10-31(38)39)33(37-27)23(12-32(40)41)28-11-16(3)24(34-28)13-29(20)36-26/h8,11,13-15,19,22,34-35H,2,7,9-10,12H2,1,3-6H3,(H,38,39)(H,40,41)/b24-13-,25-14-,26-15-,27-14-,28-23-,29-13-,30-15-,33-23-/t19-,22-/m0/s1
InChIKey CGTFSDMHQCEOMX-FOUHVHQPSA-N
Mol Weight 552.7 g/mol
Molecular Formula C33H36N4O4
Exact Mass 552.273656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZUvnVeByhV
Name ISOCHLORIN-E4
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36N4O4
InChI InChI=1S/C33H36N4O4/c1-7-20-18(5)26-15-30-21(8-2)17(4)25(35-30)14-27-19(6)22(9-10-31(38)39)33(37-27)23(12-32(40)41)28-11-16(3)24(34-28)13-29(20)36-26/h8,11,13-15,19,22,34-35H,2,7,9-10,12H2,1,3-6H3,(H,38,39)(H,40,41)/b24-13-,25-14-,26-15-,27-14-,28-23-,29-13-,30-15-,33-23-/t19-,22-/m0/s1
InChIKey CGTFSDMHQCEOMX-FOUHVHQPSA-N
Literature Reference Author W.P.FRANKMOLLE,W.FENICAL
Literature Reference Citation PHYTOCHEM.,36,361(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97076-6
Molecular Weight 552.673 g/mol
Solvent CD3OD
Source File Reference UWMS25172