| SpectraBase Compound ID | 7DLCk8lujBR |
|---|---|
| InChI | InChI=1S/C50H77NO11/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-37(53)62-50-38-34(30-48(56,45(60-6)43(50)54)44(38)61-46(55)33-26-23-22-24-27-33)49-36(58-4)29-35(52)47(32-57-3)31-51(8-2)42(49)39(50)40(59-5)41(47)49/h15-16,22-24,26-27,34-36,38-45,52,54,56H,7-14,17-21,25,28-32H2,1-6H3/b16-15+/t34-,35-,36+,38-,39?,40+,41-,42?,43?,44-,45+,47+,48-,49+,50-/m1/s1 |
| InChIKey | RRRXDGGYJSTVMB-SFDNSCHASA-N |
| Mol Weight | 868.2 g/mol |
| Molecular Formula | C50H77NO11 |
| Exact Mass | 867.549662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WC0FvP2EXh |
|---|---|
| Name | 14-BENZOYLACONINE-8-OLEATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H77NO11 |
| InChI | InChI=1S/C50H77NO11/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-37(53)62-50-38-34(30-48(56,45(60-6)43(50)54)44(38)61-46(55)33-26-23-22-24-27-33)49-36(58-4)29-35(52)47(32-57-3)31-51(8-2)42(49)39(50)40(59-5)41(47)49/h15-16,22-24,26-27,34-36,38-45,52,54,56H,7-14,17-21,25,28-32H2,1-6H3/b16-15+/t34-,35-,36+,38-,39?,40+,41-,42?,43?,44-,45+,47+,48-,49+,50-/m1/s1 |
| InChIKey | RRRXDGGYJSTVMB-SFDNSCHASA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,57,963(1994) |
| Literature Reference DOI | 10.1021/np50109a013 |
| Molecular Weight | 868.161 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1487 |