| SpectraBase Compound ID | 58sJJ0j4lzc |
|---|---|
| InChI | InChI=1S/C21H18Br2N2O6S/c1-3-31-21(32(27,28)29,16-10-24-18-8-12(22)4-6-14(16)18)17-11-25(20(26)30-2)19-9-13(23)5-7-15(17)19/h4-11,24H,3H2,1-2H3,(H,27,28,29) |
| InChIKey | DSVAMVQGWUJBQM-UHFFFAOYSA-N |
| Mol Weight | 586.25 g/mol |
| Molecular Formula | C21H18Br2N2O6S |
| Exact Mass | 583.925233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvZrBiBlxzz |
|---|---|
| Name | ECHINOSULFONIC_ACID_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H18Br2N2O6S |
| InChI | InChI=1S/C21H18Br2N2O6S/c1-3-31-21(32(27,28)29,16-10-24-18-8-12(22)4-6-14(16)18)17-11-25(20(26)30-2)19-9-13(23)5-7-15(17)19/h4-11,24H,3H2,1-2H3,(H,27,28,29) |
| InChIKey | DSVAMVQGWUJBQM-UHFFFAOYSA-N |
| Literature Reference Author | S.P.B.OVENDEN,R.J.CAPON |
| Literature Reference Citation | J.NAT.PROD.,62,1246(1999) |
| Literature Reference DOI | 10.1021/np9901027 |
| Molecular Weight | 586.252 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2782 |