| SpectraBase Compound ID | 3gtBOxMGzBH |
|---|---|
| InChI | InChI=1S/C35H42N4O6.C2HF3O2/c1-9-22-20(5)34(42)38-28(22)15-26-18(3)24(11-13-32(40)44-7)30(36-26)17-31-25(12-14-33(41)45-8)19(4)27(37-31)16-29-23(10-2)21(6)35(43)39-29;3-2(4,5)1(6)7/h15-17,36H,9-14H2,1-8H3,(H,38,42)(H,39,43);(H,6,7)/b28-15-,29-16-,31-17-; |
| InChIKey | QGECJVRHJSRFMV-RMSBMWCMSA-N |
| Mol Weight | 728.8 g/mol |
| Molecular Formula | C37H43F3N4O8 |
| Exact Mass | 728.303299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfSUgNNmnUQ |
|---|---|
| Name | MESOBILIVERDIN-XIII-ALPHA-DIMETHYLESTER-TRIFLUOROACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H43F3N4O8 |
| InChI | InChI=1S/C35H42N4O6.C2HF3O2/c1-9-22-20(5)34(42)38-28(22)15-26-18(3)24(11-13-32(40)44-7)30(36-26)17-31-25(12-14-33(41)45-8)19(4)27(37-31)16-29-23(10-2)21(6)35(43)39-29;3-2(4,5)1(6)7/h15-17,36H,9-14H2,1-8H3,(H,38,42)(H,39,43);(H,6,7)/b28-15-,29-16-,31-17-; |
| InChIKey | QGECJVRHJSRFMV-RMSBMWCMSA-N |
| Literature Reference Author | S.E.BOIADJIEV,D.A.LIGHTNER |
| Literature Reference Citation | J.HETCYCL.CHEM.,42,161(2005) |
| Literature Reference DOI | 10.1002/jhet.5570420126 |
| Molecular Weight | 728.766 g/mol |
| Sample ID | 42353 |
| Solvent | CDCl3 |