| SpectraBase Compound ID | 99I9HxNZFAR |
|---|---|
| InChI | InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17?,18?,19-,20+,21?,22-,23-,24+,25?,26+,28+,29-,30+,31-/m0/s1 |
| InChIKey | PULWZCUZNRVAHT-MGECSMNXSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C31H43NO10 |
| Exact Mass | 589.288697 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DMhgIFM4rwk |
|---|---|
| Name | Benzoylmesaconine |
| CAS Registry Number | 63238-67-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H43NO10 |
| InChI | InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17?,18?,19-,20+,21?,22-,23-,24+,25?,26+,28+,29-,30+,31-/m0/s1 |
| InChIKey | PULWZCUZNRVAHT-MGECSMNXSA-N |
| Molecular Weight | 589.682 g/mol |
| SMILES | O[C@@]12C[C@@]3([C@@]45[C@@]6([C@]([C@]([C@@]([C@]2(OC)[H])(O)[H])([C@@]3(C1OC(c1ccccc1)=O)[H])O)(C([C@]5([C@](C(CC4OC)O)(CN6C)COC)[H])OC)[H])[H])[H] |
| SPLASH | splash10-0a4i-0000090000-63013926d479e2bf2ff7 |
| Source of Spectrum | CD-287-0-0 |
| Wiley ID | 1409255 |