For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
MESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID EZtMfRUcJy
InChI InChI=1S/C33H40N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey PSUYEWBLPHMDMK-IFADSCNNSA-N
Mol Weight 588.7 g/mol
Molecular Formula C33H40N4O6
Exact Mass 588.294785 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 2,7-DIMETHYL-3-ETHYL-(10H)-DIPYRRIN-1-ONE-8-PROPIONIC-ACID;NEOXANTHO-BILIRUBIC-ACID
  • MESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYETHYLDIPYRRIN-1(10H)-ON-9-YL)-METHANE
  • MESOBILIRUBIN-XIII-ALPHA;8,12-BIS-(2-ETHANECARBOXYLIC-ACID)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE
  • MESOBILIRUBIN-XIII-ALPHA;8,12-BSI-(2-CARBOXY-ETHYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILINE-1,19-DIONE
Title Journal or Book Year
10-Thia-mesobilirubin-xiiiα Journal of Heterocyclic Chemistry 2003
A New Class of Linear Tetrapyrroles:  Acetylenic 10,10a-Didehydro-10a-homobilirubins The Journal of Organic Chemistry 2003
A Water-Soluble Synthetic Bilirubin with Carboxyl Groups Replaced by Sulfonyl Moieties Monatshefte fuer Chemie/Chemical Monthly 2001
Synthesis of a 10-Oxo-Bilirubin:  Effects of the Oxo Group on Conformation, Transhepatic Transport, and Glucuronidation Journal of the American Chemical Society 1999
Synthesis of the First Fluorinated Bilirubin The Journal of Organic Chemistry 1997
A Synthetic Bilirubin in a Porphyrin-like Conformation HETEROCYCLES 1994

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.