| SpectraBase Compound ID | IQrVjXJi6WG |
|---|---|
| InChI | InChI=1S/C22H31BrO6/c1-13-8-18-21(11-28-14(2)24)16(4-5-17(23)22(21,26)12-29-18)20(13,3)7-6-15-9-19(25)27-10-15/h9,13,16-18,26H,4-8,10-12H2,1-3H3/t13-,16+,17-,18-,20-,21-,22+/m0/s1 |
| InChIKey | NRAFLSKNYYUPEN-WIYVELFVSA-N |
| Mol Weight | 471.39 g/mol |
| Molecular Formula | C22H31BrO6 |
| Exact Mass | 470.130402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6TDkFRUNJH |
|---|---|
| Name | NRAFLSKNYYUPEN-WIYVELFVSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31BrO6 |
| InChI | InChI=1S/C22H31BrO6/c1-13-8-18-21(11-28-14(2)24)16(4-5-17(23)22(21,26)12-29-18)20(13,3)7-6-15-9-19(25)27-10-15/h9,13,16-18,26H,4-8,10-12H2,1-3H3/t13-,16+,17-,18-,20-,21-,22+/m0/s1 |
| InChIKey | NRAFLSKNYYUPEN-WIYVELFVSA-N |
| Literature Reference Author | E.MALDOONADO,A.ORTEGA |
| Literature Reference Citation | PHYTOCHEM.,46,1249(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80021-0 |
| Molecular Weight | 471.389 g/mol |
| Sample ID | 52642 |
| Solvent | CDCl3 |