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2,18-DIETHYLMESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID 1QKPnoPloxH
InChI InChI=1S/C35H44N4O6/c1-7-20-22(9-3)34(44)38-28(20)15-26-18(5)24(11-13-32(40)41)30(36-26)17-31-25(12-14-33(42)43)19(6)27(37-31)16-29-21(8-2)23(10-4)35(45)39-29/h15-16,36-37H,7-14,17H2,1-6H3,(H,38,44)(H,39,45)(H,40,41)(H,42,43)/b28-15-,29-16-
InChIKey WJFXIWZHKVIAIT-FLZZTMJYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C35H44N4O6
Exact Mass 616.326085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuqToIZSMJp
Name 2,18-DIETHYLMESOBILIRUBIN-XIII-ALPHA
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44N4O6
InChI InChI=1S/C35H44N4O6/c1-7-20-22(9-3)34(44)38-28(20)15-26-18(5)24(11-13-32(40)41)30(36-26)17-31-25(12-14-33(42)43)19(6)27(37-31)16-29-21(8-2)23(10-4)35(45)39-29/h15-16,36-37H,7-14,17H2,1-6H3,(H,38,44)(H,39,45)(H,40,41)(H,42,43)/b28-15-,29-16-
InChIKey WJFXIWZHKVIAIT-FLZZTMJYSA-N
Literature Reference Author B.GHOSH,V.J.CATALANO,D.A.LIGHTNER
Literature Reference Citation MH.CHEM.,135,1305(2004)
Literature Reference DOI 10.1007/s00706-004-0216-4
Molecular Weight 616.758 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11977