| SpectraBase Compound ID | ECIffei8xJD |
|---|---|
| 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+/m1/s1 |
| InChIKey | TYERNBWLYILAOK-AYGYOHIISA-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 | 1oILHJLgq9Z |
|---|---|
| Name | 4-BETA-HYDROXY-BATRACHOTOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m1/s1 |
| InChIKey | TYERNBWLYILAOK-AYGYOHIISA-N |
| Literature Reference Author | T.TOKUYAMA,J.W.DALY |
| Literature Reference Citation | TETRAHEDRON,39,41(1983) |
| Literature Reference DOI | 10.1016/S0040-4020(01)97627-6 |
| Molecular Weight | 554.684 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW17271 |