| SpectraBase Compound ID | Iem2YPIOoxJ |
|---|---|
| InChI | InChI=1S/C27H44N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(33)37-26(23-16-28-18-36-23)27-29-20(17-35-27)21(31)15-22(32)25(34)19(2)30/h16-19,21-22,25-26,30-32,34H,3-15H2,1-2H3/t19-,21-,22+,25-,26?/m0/s1 |
| InChIKey | XXGWNOCDEURNQA-CCAAJEKWSA-N |
| Mol Weight | 524.7 g/mol |
| Molecular Formula | C27H44N2O8 |
| Exact Mass | 524.309766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv63ncx0SXl |
|---|---|
| Name | BENGAZOLE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44N2O8 |
| InChI | InChI=1S/C27H44N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(33)37-26(23-16-28-18-36-23)27-29-20(17-35-27)21(31)15-22(32)25(34)19(2)30/h16-19,21-22,25-26,30-32,34H,3-15H2,1-2H3/t19-,21-,22+,25-,26?/m0/s1 |
| InChIKey | XXGWNOCDEURNQA-CCAAJEKWSA-N |
| Literature Reference Author | A.RUDI,Y.KASHMAN,Y.BENAYAHU,M.SCHLEYER |
| Literature Reference Citation | J.NAT.PROD.,57,829(1994) |
| Literature Reference DOI | 10.1021/np50108a023 |
| Molecular Weight | 524.655 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1736 |