| SpectraBase Compound ID | AADRxbja0lF |
|---|---|
| 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-AWTSQIIRSA-N |
| Mol Weight | 645.7 g/mol |
| Molecular Formula | C34H47NO11 |
| Exact Mass | 645.314911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYN23ZnFKTK |
|---|---|
| Name | Aconitine |
| CAS Registry Number | 302-27-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-AWTSQIIRSA-N |
| Instrument Name | Jeol PFT-100 |
| Literature Reference | S.W. Pelletier, Z. Djarmati, J. Am. Chem. Soc. 98, 2626 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |