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10,10A-DIDEHYDRO-10A-HOMO-8,12-BIS-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYPROPYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE;BIS-BU

View entire compound with spectra: 1 NMR

10,10A-DIDEHYDRO-10A-HOMO-8,12-BIS-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYPROPYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE;BIS-BU
SpectraBase Compound ID 4jO5HabtYom
InChI InChI=1S/C36H42N4O6/c1-7-23-21(5)35(45)39-31(23)17-29-19(3)25(11-9-13-33(41)42)27(37-29)15-16-28-26(12-10-14-34(43)44)20(4)30(38-28)18-32-24(8-2)22(6)36(46)40-32/h17-18,37-38H,7-14H2,1-6H3,(H,39,45)(H,40,46)(H,41,42)(H,43,44)/b31-17-,32-18-
InChIKey MGHVYLOIAXDDMN-KUUUIRGPSA-N
Mol Weight 626.8 g/mol
Molecular Formula C36H42N4O6
Exact Mass 626.310435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wSGTRharut
Name 10,10A-DIDEHYDRO-10A-HOMO-8,12-BIS-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYPROPYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE;BIS-BU
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N4O6
InChI InChI=1S/C36H42N4O6/c1-7-23-21(5)35(45)39-31(23)17-29-19(3)25(11-9-13-33(41)42)27(37-29)15-16-28-26(12-10-14-34(43)44)20(4)30(38-28)18-32-24(8-2)22(6)36(46)40-32/h17-18,37-38H,7-14H2,1-6H3,(H,39,45)(H,40,46)(H,41,42)(H,43,44)/b31-17-,32-18-
InChIKey MGHVYLOIAXDDMN-KUUUIRGPSA-N
Literature Reference Author B.TU,B.GHOSH,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,68,8950(2003)
Literature Reference DOI 10.1021/jo030252t
Molecular Weight 626.753 g/mol
Solvent DMSO-D6
Source File Reference UWSI21297