| SpectraBase Compound ID | 142loVMZO2q |
|---|---|
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29+,31+,32-,33-,34-/m1/s1 |
| InChIKey | XFSBVAOIAHNAPC-VIDSGTQRSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C34H47NO11 |
| Exact Mass | 645.314911 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ANA3tQqIfU |
|---|---|
| Name | Aconitine |
| Source of Sample | Aldrich |
| Catalog Number | 284963 |
| CAS Registry Number | 302-27-2 |
| Classification | Aromatic esters and lactones |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47NO11 |
| InChI | InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29+,31+,32-,33-,34-/m1/s1 |
| InChIKey | XFSBVAOIAHNAPC-VIDSGTQRSA-N |
| Purity | 95% |
| Solvent | Nujol |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Acetylbenzoylaconine |
| Technique | Mull |
| Wiley ID | SIAL_FTIR_1_5645 |