| SpectraBase Compound ID | 7Jl9GP8UEev |
|---|---|
| InChI | InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 |
| InChIKey | HULMNSIAKWANQO-JQKSAQOKSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C29H42O10 |
| Exact Mass | 550.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AyiunMWXnTM |
|---|---|
| Name | CONVALLATOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O10 |
| InChI | InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 |
| InChIKey | HULMNSIAKWANQO-JQKSAQOKSA-N |
| Literature Reference Author | G.F.PAULI,P.JUNIOR,S.BERGER,U.MATTHIESEN |
| Literature Reference Citation | J.NAT.PROD.,56,67(1993) |
| Literature Reference DOI | 10.1021/np50091a010 |
| Molecular Weight | 550.646 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS938 |