| SpectraBase Compound ID | I02k15UXz02 |
|---|---|
| InChI | InChI=1S/C31H42N2O7/c1-17-15-32-18(2)24(17)26(36)39-19(3)20-8-9-29-22-7-6-21-25(35)30(37)11-10-27(21,4)31(22,40-30)23(34)14-28(20,29)16-33(5)12-13-38-29/h7-8,15,19,21,23,25,32,34-35,37H,6,9-14,16H2,1-5H3/t19?,21-,23-,25-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | TYERNBWLYILAOK-JACSHOSVSA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C31H42N2O7 |
| Exact Mass | 554.299202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIe5rS1dbQP |
|---|---|
| Name | 4.beta.-Hydroxy-batrachotoxin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H42N2O7 |
| InChI | InChI=1S/C31H42N2O7/c1-17-15-32-18(2)24(17)26(36)39-19(3)20-8-9-29-22-7-6-21-25(35)30(37)11-10-27(21,4)31(22,40-30)23(34)14-28(20,29)16-33(5)12-13-38-29/h7-8,15,19,21,23,25,32,34-35,37H,6,9-14,16H2,1-5H3/t19?,21-,23-,25-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | TYERNBWLYILAOK-JACSHOSVSA-N |
| Literature Reference | Tetrahedron 41 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |