| SpectraBase Compound ID | 48SDdPuUiYF |
|---|---|
| InChI | InChI=1S/C25H44O2/c1-18(12-17-26)8-9-21-24(5)15-10-19-22(2,3)13-7-14-23(19,4)20(24)11-16-25(21,6)27/h12,19-21,26-27H,7-11,13-17H2,1-6H3/b18-12-/t19?,20?,21-,23-,24+,25-/m0/s1 |
| InChIKey | PDRNQNQJDMLWPU-DRRGCHGNSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C25H44O2 |
| Exact Mass | 376.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXvOYWqxnjS |
|---|---|
| Name | Cheilanth-17-ene-13,19-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.334130655 u |
| Formula | C25H44O2 |
| InChI | InChI=1S/C25H44O2/c1-18(12-17-26)8-9-21-24(5)15-10-19-22(2,3)13-7-14-23(19,4)20(24)11-16-25(21,6)27/h12,19-21,26-27H,7-11,13-17H2,1-6H3/b18-12-/t19?,20?,21-,23-,24+,25-/m0/s1 |
| InChIKey | PDRNQNQJDMLWPU-DRRGCHGNSA-N |
| Molecular Weight | 376.625 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC[C@@]([C@]1(CC\C(=C/CO)C)[H])(O)C)C |