| SpectraBase Compound ID | 1QKPnoPloxH |
|---|---|
| InChI | InChI=1S/C35H44N4O6/c1-7-20-22(9-3)34(44)38-28(20)15-26-18(5)24(11-13-32(40)41)30(36-26)17-31-25(12-14-33(42)43)19(6)27(37-31)16-29-21(8-2)23(10-4)35(45)39-29/h15-16,36-37H,7-14,17H2,1-6H3,(H,38,44)(H,39,45)(H,40,41)(H,42,43)/b28-15-,29-16- |
| InChIKey | WJFXIWZHKVIAIT-FLZZTMJYSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H44N4O6 |
| Exact Mass | 616.326085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuqToIZSMJp |
|---|---|
| Name | 2,18-DIETHYLMESOBILIRUBIN-XIII-ALPHA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44N4O6 |
| InChI | InChI=1S/C35H44N4O6/c1-7-20-22(9-3)34(44)38-28(20)15-26-18(5)24(11-13-32(40)41)30(36-26)17-31-25(12-14-33(42)43)19(6)27(37-31)16-29-21(8-2)23(10-4)35(45)39-29/h15-16,36-37H,7-14,17H2,1-6H3,(H,38,44)(H,39,45)(H,40,41)(H,42,43)/b28-15-,29-16- |
| InChIKey | WJFXIWZHKVIAIT-FLZZTMJYSA-N |
| Literature Reference Author | B.GHOSH,V.J.CATALANO,D.A.LIGHTNER |
| Literature Reference Citation | MH.CHEM.,135,1305(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0216-4 |
| Molecular Weight | 616.758 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ11977 |