| SpectraBase Compound ID | JFf38a19VZ9 |
|---|---|
| InChI | InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h17-25,28-30H,5-16H2,1-4H3 |
| InChIKey | QOZJGOAPWUNUFZ-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C27H48O3 |
| Exact Mass | 420.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUjk8mZMz9v |
|---|---|
| Name | Tetrahydrosarsasapogenin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.360345403 u |
| Formula | C27H48O3 |
| InChI | InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h17-25,28-30H,5-16H2,1-4H3 |
| InChIKey | QOZJGOAPWUNUFZ-UHFFFAOYSA-N |
| Molecular Weight | 420.678 g/mol |
| SMILES | C1(O)C(C2(C)CCC3C4(C)CCC(O)CC4CCC3C2C1)C(C)CCCC(C)CO |