| SpectraBase Compound ID | ITrKNEZF2Wv |
|---|---|
| InChI | InChI=1S/C38H36Br2O7/c1-22-19-31(46-35(42)24-5-11-26(39)12-6-24)34-37(2,3)32(47-36(43)25-7-13-27(40)14-8-25)17-18-38(34,4)29(22)21-44-28-15-9-23-10-16-33(41)45-30(23)20-28/h5-16,20,29,31-32,34H,1,17-19,21H2,2-4H3/t29-,31+,32+,34+,38-/m0/s1 |
| InChIKey | LYBMDCZAHQMPAV-UBCCTJCDSA-N |
| Mol Weight | 764.5 g/mol |
| Molecular Formula | C38H36Br2O7 |
| Exact Mass | 762.082779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7aUYFqF5Do |
|---|---|
| Name | ASSAFOETIDNOL-A-DI-PARA-BROMOBENZOATE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H36Br2O7 |
| InChI | InChI=1S/C38H36Br2O7/c1-22-19-31(46-35(42)24-5-11-26(39)12-6-24)34-37(2,3)32(47-36(43)25-7-13-27(40)14-8-25)17-18-38(34,4)29(22)21-44-28-15-9-23-10-16-33(41)45-30(23)20-28/h5-16,20,29,31-32,34H,1,17-19,21H2,2-4H3/t29-,31+,32+,34+,38-/m0/s1 |
| InChIKey | LYBMDCZAHQMPAV-UBCCTJCDSA-N |
| Literature Reference Author | M.H.A.EL-RAZEK,S.OHTA,A.A.AHMED,T.HIRATA |
| Literature Reference Citation | PHYTOCHEM.,58,1289(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00324-7 |
| Molecular Weight | 764.508 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3189 |