(SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER
Compound with spectra: 1 NMR
![(SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER](/api/compound/EaMpNIGSSKD.png?ph=true&h=300&w=458 "(SS/RR)-BRODIFACOUM;3-[3-(4'-BROMOBIPHENYL-4-YL)-1,2,3,4-TETRAHYDRO-1-NYPHTHYL]-4-HYDROXY-COUMARIN;MINOR-DIASTEREOMER")
| SpectraBase Compound ID | EaMpNIGSSKD |
|---|---|
| InChI | InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27+/m0/s1 |
| InChIKey | VEUZZDOCACZPRY-WNCULLNHSA-N |
| Mol Weight | 523.43 g/mol |
| Molecular Formula | C31H23BrO3 |
| Exact Mass | 522.083058 g/mol |
| Enantiomer InChIKey | VEUZZDOCACZPRY-KCWPFWIISA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
TRANS-FLOCOUMAFEN
Coumatetralyl-M (HO-) isomer-1 ET
Difethialon
Coumatetralyl-M (HO-) isomer-1 ME
TRANS-3,4-DIHYDRO-2-ETHOXY-4-(ORTHO-BENZALDEHYDE)-2H,5H-PYRANO-[3,2-C]-[1]-BENZOPYRAN-5-ONE
Coumatetralyl AC
2,3,4,5-TETRAHYDRO-2-[1'-(2'-OXOPYRROLIDINYL)]-4-PHENYLPYRANO-[3,2-C]-BENZOPYRAN-5-ONE;TRANS-ISOMER
3,3'-(1H-INDOLE-3-YL-METHANE-DIYL)-BIS-(4-HYDROXY-2H-CHROMEN-2-ONE)
| Title | Journal or Book | Year |
|---|---|---|
| 1 H and 13 C NMR chemical shift assignments and conformational analysis for the two diastereomers of the vitamin K epoxide reductase inhibitor brodifacoum | Magnetic Resonance in Chemistry | 2009 |