| SpectraBase Compound ID | BlrZPkbW04N |
|---|---|
| InChI | InChI=1S/C25H34O5/c1-14-19(16-10-23(27)29-13-16)7-9-25(28)20-5-4-17-11-18(30-15(2)26)6-8-24(17,3)22(20)12-21(14)25/h10,17-22,28H,1,4-9,11-13H2,2-3H3/t17-,18+,19+,20-,21-,22?,24+,25+/m1/s1 |
| InChIKey | SFXCYAPEPQERRL-OHBYYSKLSA-N |
| Mol Weight | 414.5 g/mol |
| Molecular Formula | C25H34O5 |
| Exact Mass | 414.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GcqbN9QWOH |
|---|---|
| Name | THEVETIOGENIN-3-ACETATE;C-NOR-D-HOMOCARDENOLIDE-3-ACETATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O5 |
| InChI | InChI=1S/C25H34O5/c1-14-19(16-10-23(27)29-13-16)7-9-25(28)20-5-4-17-11-18(30-15(2)26)6-8-24(17,3)22(20)12-21(14)25/h10,17-22,28H,1,4-9,11-13H2,2-3H3/t17-,18+,19+,20-,21-,22?,24+,25+/m1/s1 |
| InChIKey | SFXCYAPEPQERRL-OHBYYSKLSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,31,251(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83047-O |
| Molecular Weight | 414.542 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5295 |