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COBrYNIC-ACID-HEPTAMETHYLESTER
SpectraBase Compound ID KLpZW5V3OCY
InChI InChI=1S/C52H73N4O14.2ClH.Co/c1-28-43-31(17-20-37(58)65-10)48(3,4)35(54-43)25-34-30(16-19-36(57)64-9)50(6,26-41(62)69-14)46(53-34)29(2)44-32(18-21-38(59)66-11)51(7,27-42(63)70-15)52(8,56-44)47-33(24-40(61)68-13)49(5,45(28)55-47)23-22-39(60)67-12;;;/h25,30-33,47H,16-24,26-27H2,1-15H3;2*1H;/q-1;;;+3/p-2/t30-,31-,32-,33+,47-,49-,50+,51+,52+;;;/m1.../s1/i36+1,37+1,38+1,39+1,41+1,42+1,57+2,58+2,59+2,62+2,63+2,64+2,65+2,66+2,69+2,70+2;;;
InChIKey LATLJFSRHWLHDK-WSGYXXCYSA-L
Mol Weight 1134.0 g/mol
Molecular Formula C4613C6H73Cl2CoN4O418O10
Exact Mass 1132.445806 g/mol
Parent InChIKey CZEGMGAIEDPCHL-GSECKKMTSA-L
Enantiomer InChIKey LATLJFSRHWLHDK-SQTYBERLSA-L
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6;KCN-SATURATED
Title Journal or Book Year
Biosynthesis of porphyrins and related macrocycles. Part 41. Fate of oxygen atoms as precorrin-2 carrying eight labelled carboxyl groups (13C18O2H) is enzymatically converted into cobyrinic acid Journal of the Chemical Society, Perkin Transactions 1 1993

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