| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgBRrILT5vF |
|---|---|
| Name | COBrYNIC-ACID-HEPTAMETHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C4613C6H73Cl2CoN4O418O10 |
| 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 |
| Literature Reference Author | R.A.VISHWAKARMA,S.BALACHANDRAN,A.I.D.ALANINE,N.P.J.STAMFORD, F.KIUCHI,F.J.LEEPER, |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2893(1993) |
| Literature Reference DOI | 10.1039/p19930002893 |
| Molecular Weight | 1133.961 g/mol |
| Solvent | C6D6;KCN-SATURATED |
| Source File Reference | UWCS18619 |