| SpectraBase Compound ID | 3kXW8mcX9XI |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-16-23-22(31-27(16)12-11-24(2,29)15-30-27)14-21-19-6-5-17-13-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | NHBDEADLHQSGDF-OONCHKKTSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lc7TyMBQ3K |
|---|---|
| Name | (25R)-ISONUATIGENIN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-16-23-22(31-27(16)12-11-24(2,29)15-30-27)14-21-19-6-5-17-13-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | NHBDEADLHQSGDF-OONCHKKTSA-N |
| Literature Reference Author | F.FAINI,R.TORRES,M.CASTILLO |
| Literature Reference Citation | PHYTOCHEM.,23,1301(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80446-X |
| Molecular Weight | 430.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17047 |