| SpectraBase Compound ID | 1ojzt5LBTVo |
|---|---|
| InChI | InChI=1S/C29H37BrO5/c1-8-23-25(35-27(33)21-10-12-22(30)13-11-21)20(5)17-29(23,34)26(32)19(4)15-16-28(6,7)24(31)14-9-18(2)3/h8,10-13,15,20,23,25,34H,1-2,9,14,16-17H2,3-7H3/b19-15+/t20-,23-,25-,29+/m0/s1 |
| InChIKey | MBDDGEWKUKGDIC-SIGGOSKBSA-N |
| Mol Weight | 545.5 g/mol |
| Molecular Formula | C29H37BrO5 |
| Exact Mass | 544.182437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bvi5zm8I27 |
|---|---|
| Name | MBDDGEWKUKGDIC-SIGGOSKBSA-N |
| Compound Number | S16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H37BrO5 |
| InChI | InChI=1S/C29H37BrO5/c1-8-23-25(35-27(33)21-10-12-22(30)13-11-21)20(5)17-29(23,34)26(32)19(4)15-16-28(6,7)24(31)14-9-18(2)3/h8,10-13,15,20,23,25,34H,1-2,9,14,16-17H2,3-7H3/b19-15+/t20-,23-,25-,29+/m0/s1 |
| InChIKey | MBDDGEWKUKGDIC-SIGGOSKBSA-N |
| Literature Reference Author | H.HELMBOLDT,D.KOEHLER,M.HIERSEMANN |
| Literature Reference Citation | ORG.LETTERS,8,1573(2006) |
| Literature Reference DOI | 10.1021/ol060115t |
| Molecular Weight | 545.514 g/mol |
| Sample ID | 58984 |
| Solvent | CDCl3 |