| SpectraBase Compound ID | FTiTLg8Jgl9 |
|---|---|
| InChI | InChI=1S/C32H44N2O7/c1-6-22-25(18(2)16-33-22)27(37)40-19(3)20-9-10-30-23-8-7-21-26(36)31(38)12-11-28(21,4)32(23,41-31)24(35)15-29(20,30)17-34(5)13-14-39-30/h8-9,16,19,21,24,26,33,35-36,38H,6-7,10-15,17H2,1-5H3/t19-,21-,24-,26-,28+,29+,30+,31-,32+/m1/s1 |
| InChIKey | FKTFLWLHIZZNNB-XCTBQSTQSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H44N2O7 |
| Exact Mass | 568.314852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEOn4FLnuep |
|---|---|
| Name | 4-BETA-HYDROXYHOMOBATRACHOTOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N2O7 |
| InChI | InChI=1S/C32H44N2O7/c1-6-22-25(18(2)16-33-22)27(37)40-19(3)20-9-10-30-23-8-7-21-26(36)31(38)12-11-28(21,4)32(23,41-31)24(35)15-29(20,30)17-34(5)13-14-39-30/h8-9,16,19,21,24,26,33,35-36,38H,6-7,10-15,17H2,1-5H3/t19-,21-,24-,26-,28+,29+,30+,31-,32+/m1/s1 |
| InChIKey | FKTFLWLHIZZNNB-XCTBQSTQSA-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 | 568.711 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW17270 |