| SpectraBase Compound ID | 9wxn3L4wck3 |
|---|---|
| InChI | InChI=1S/C50H75NO11/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/h12-13,15-16,22-24,26-27,34-36,38-45,52,54,56H,7-11,14,17-21,25,28-32H2,1-6H3/b13-12+,16-15+/t34-,35-,36+,38-,39?,40+,41-,42?,43+,44-,45+,47+,48-,49+,50-/m1/s1 |
| InChIKey | BJOATYSXWDPNJK-RKHUWTPASA-N |
| Mol Weight | 866.1 g/mol |
| Molecular Formula | C50H75NO11 |
| Exact Mass | 865.534012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nLwKlAb1Ck |
|---|---|
| Name | 14-BENZOYLACONINE-8-LINOLEATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H75NO11 |
| InChI | InChI=1S/C50H75NO11/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/h12-13,15-16,22-24,26-27,34-36,38-45,52,54,56H,7-11,14,17-21,25,28-32H2,1-6H3/b13-12+,16-15+/t34-,35-,36+,38-,39?,40+,41-,42?,43+,44-,45+,47+,48-,49+,50-/m1/s1 |
| InChIKey | BJOATYSXWDPNJK-RKHUWTPASA-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 | 866.146 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1485 |