| SpectraBase Compound ID | 9aCTXxxDCWL |
|---|---|
| InChI | InChI=1S/C47H73NO11/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-34(50)59-47-35-31(27-45(53,42(57-6)40(47)51)41(35)58-43(52)30-23-20-19-21-24-30)46-33(55-4)26-32(49)44(29-54-3)28-48(2)39(46)36(47)37(56-5)38(44)46/h19-21,23-24,31-33,35-42,49,51,53H,7-18,22,25-29H2,1-6H3/t31-,32-,33+,35-,36?,37+,38-,39?,40?,41-,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | QQMNMQWJEJXICB-OYHHLRFHSA-N |
| Mol Weight | 828.1 g/mol |
| Molecular Formula | C47H73NO11 |
| Exact Mass | 827.518362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOHqXOn5Kq8 |
|---|---|
| Name | 14-BENZOYLMESACONINE-8-PALMITATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H73NO11 |
| InChI | InChI=1S/C47H73NO11/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-34(50)59-47-35-31(27-45(53,42(57-6)40(47)51)41(35)58-43(52)30-23-20-19-21-24-30)46-33(55-4)26-32(49)44(29-54-3)28-48(2)39(46)36(47)37(56-5)38(44)46/h19-21,23-24,31-33,35-42,49,51,53H,7-18,22,25-29H2,1-6H3/t31-,32-,33+,35-,36?,37+,38-,39?,40?,41-,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | QQMNMQWJEJXICB-OYHHLRFHSA-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 | 828.097 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1503 |