| SpectraBase Compound ID | 2KEIVEOYqDL |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17?,18?,19?,20-,21-,23-,24-,25+/m0/s1 |
| InChIKey | WJOGTCZNZPHODB-LAQHROLXSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xQA3mav1id |
|---|---|
| Name | Digitoxigenin-acetat |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17?,18?,19?,20-,21-,23-,24-,25+/m0/s1 |
| InChIKey | WJOGTCZNZPHODB-LAQHROLXSA-N |
| Literature Reference | J. Org. Chem. 44, 3511 (1979). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |