Coproporphyrin III tetramethyl ester

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Systematic / IUPAC Name: Methyl-3-[8,13,18-tris(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate

ID: Reference353

Other Names: Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionate

Formula: C40H46N4O8

Class: Endogenous Metabolites

Spectral Data

Coproporphyrin III tetramethyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 503
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/19/2014 3:01:33 PM
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Identificators

InChI InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,42,44H,9-16H2,1-8H3
InChI Key MVHPHWXMJJZYNL-UHFFFAOYSA-N
Canonical SMILES CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)
C)CCC(=O)OC)C)CCC(=O)OC)CCC(=O)OC
CAS 5522634
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Other Names Tetramethyl 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionate

In Other Databases

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