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BILIRUBIN-9-ALPHA
SpectraBase Compound ID FcQWYhclu4x
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey BPYKTIZUTYGOLE-IFADSCNNSA-N
Mol Weight 584.7 g/mol
Molecular Formula C33H36N4O6
Exact Mass 584.263485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D29sht2iSkj
Name 21H-BILINE-8,12-DIPROPANOIC ACID, 2,17-DIVINYL-1,10,19,22,23,24-HEXAHYDRO-3,7,13,18-TETRAMETHYL-1,19-DIOXO-
Alternate Name(s) BILIRUBIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H36N4O6
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey BPYKTIZUTYGOLE-IFADSCNNSA-N
Instrument Name 311A
Molecular Weight 584.2626
SMILES N1\C(=C/c2c(c(c(Cc3c(CCC(O)=O)c(C)c([nH]3)\C=C/3C(C=C)=C(C)C(=O)N3)[nH]2)CCC(O)=O)C)C(C)=C(C=C)C1=O
SPLASH splash10-000j-4490010000-d3ef854982dc8233d33e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany