| SpectraBase Compound ID | J6Rmf2lrsIy |
|---|---|
| InChI | InChI=1S/C42H52N4O4/c1-5-25-21-45-15-11-27(25)19-33(45)40-30(13-17-45)29-7-9-36(50-24(4)48)39(42(29)44-40)38-35(49-23(3)47)10-8-32-37(38)31-14-18-46-16-12-28(26(6-2)22-46)20-34(46)41(31)43-32/h7-10,25-28,33-34,43-44H,5-6,11-22H2,1-4H3/q+2/t25-,26-,27-,28-,33-,34-,45?,46?/m1/s1 |
| InChIKey | MTONZGHHGROOQM-RWAQRAIISA-N |
| Mol Weight | 676.9 g/mol |
| Molecular Formula | C42H52N4O4 |
| Exact Mass | 676.398856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ee4Jc7GwsL |
|---|---|
| Name | BLUMEANINE_DIACETATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H52N4O4 |
| InChI | InChI=1S/C42H52N4O4/c1-5-25-21-45-15-11-27(25)19-33(45)40-30(13-17-45)29-7-9-36(50-24(4)48)39(42(29)44-40)38-35(49-23(3)47)10-8-32-37(38)31-14-18-46-16-12-28(26(6-2)22-46)20-34(46)41(31)43-32/h7-10,25-28,33-34,43-44H,5-6,11-22H2,1-4H3/q+2/t25-,26-,27-,28-,33-,34-,45?,46?/m1/s1 |
| InChIKey | MTONZGHHGROOQM-RWAQRAIISA-N |
| Literature Reference Author | D.ARBAIN,X.DACHRIYANUS,X.FIRMANSYAH,M.V.SARGENT,B.W.SKELTON, A.H.WHITE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2537(1998) |
| Literature Reference DOI | 10.1039/a803547d |
| Molecular Weight | 676.899 g/mol |
| Solvent | CD3OD |