| SpectraBase Compound ID | DWnfmYFx5e6 |
|---|---|
| InChI | InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,24-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | ISNYUQWBWALXEY-AVVAOKPQSA-N |
| Mol Weight | 538.7 g/mol |
| Molecular Formula | C31H42N2O6 |
| Exact Mass | 538.304287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8CCC1mS7BU |
|---|---|
| Name | Batrachotoxin |
| CAS Registry Number | 23509-16-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H42N2O6 |
| InChI | InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,24-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | ISNYUQWBWALXEY-AVVAOKPQSA-N |
| Literature Reference | Tetrahedron 41 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |