| SpectraBase Compound ID | 8Q7RuXJqJPc |
|---|---|
| InChI | InChI=1S/C27H36Br2O4/c1-16-6-9-21(28)26(4)12-10-23-27(5,33-23)13-11-22(25(2,3)29)32-24(31)17-7-8-20(30)18(14-17)15-19(16)26/h7-8,14,19,21-23,30H,1,6,9-13,15H2,2-5H3/t19-,21+,22+,23+,26+,27+/m1/s1 |
| InChIKey | XXZGDAJOFSALEJ-KXSKSBKOSA-N |
| Mol Weight | 584.4 g/mol |
| Molecular Formula | C27H36Br2O4 |
| Exact Mass | 582.098036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SM4acfdPor |
|---|---|
| Name | BROMOPHYCOLIDE_S |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36Br2O4 |
| InChI | InChI=1S/C27H36Br2O4/c1-16-6-9-21(28)26(4)12-10-23-27(5,33-23)13-11-22(25(2,3)29)32-24(31)17-7-8-20(30)18(14-17)15-19(16)26/h7-8,14,19,21-23,30H,1,6,9-13,15H2,2-5H3/t19-,21+,22+,23+,26+,27+/m1/s1 |
| InChIKey | XXZGDAJOFSALEJ-KXSKSBKOSA-N |
| Literature Reference Author | A.S.LIN,E.P.STOUT,J.PRUDHOMME,K.LEROCH,C.R.FAIRCHILD,S.G.FRA NZBLAU,W.AALBERSBERG |
| Literature Reference Citation | J.NAT.PROD.,73,275(2010) |
| Literature Reference DOI | 10.1021/np900686w |
| Molecular Weight | 584.388 g/mol |
| Sample ID | 35025 |
| Solvent | CDCl3 |