| SpectraBase Compound ID | Azt5wpBfVTo |
|---|---|
| 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+/m0/s1 |
| InChIKey | QQMNMQWJEJXICB-QCKTYUDASA-N |
| Mol Weight | 828.1 g/mol |
| Molecular Formula | C47H73NO11 |
| Exact Mass | 827.518362 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CcEybz61Fyv |
|---|---|
| Name | 14-Benzoyl-Mesaconine-8-Palmitate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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+/m0/s1 |
| InChIKey | QQMNMQWJEJXICB-QCKTYUDASA-N |
| Molecular Weight | 828.097 g/mol |
| SMILES | OC1[C@@]2(C3C4(C(C([C@@]5(C6C4CC([C@](C5O)(OC)[H])(C6OC(=O)c4ccccc4)O)OC(=O)CCCCCCCCCCCCCCC)C3OC)N(C2)C)C(C1)OC)COC |
| SPLASH | splash10-0f6x-8900040000-79fae04036b0e1a4f047 |
| Source of Spectrum | X2-57-969-19 |
| Wiley ID | 1605571 |