| SpectraBase Compound ID | 1hXU24DYeZQ |
|---|---|
| InChI | InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | NQOMDNMTNVQXRR-WQLPVBBFSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C29H44O7 |
| Exact Mass | 504.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WpDc2dlMIL |
|---|---|
| Name | TOXIGENIN-3-BETA-O-DIGITOXOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O7 |
| InChI | InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | NQOMDNMTNVQXRR-WQLPVBBFSA-N |
| Literature Reference Author | J.M.TRUJILLO,O.HERNANDEZ,E.NAVARRO |
| Literature Reference Citation | J.NAT.PROD.,53,167(1990) |
| Literature Reference DOI | 10.1021/np50067a024 |
| Molecular Weight | 504.664 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17250 |