| SpectraBase Compound ID | E9WMx2Ubd2d |
|---|---|
| InChI | InChI=1S/C21H36O3S/c1-15-8-9-18-20(4,16(15)14-24-25(6,22)23)13-10-17-19(2,3)11-7-12-21(17,18)5/h8,16-18H,7,9-14H2,1-6H3/t16-,17?,18?,20+,21+/m1/s1 |
| InChIKey | WZQBLWZWOTXSDE-VWHSNLPJSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C21H36O3S |
| Exact Mass | 368.238516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIsG8bqG7Mi |
|---|---|
| Name | ent-12-Isocopalen-15-yl mesylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.238516190 u |
| Formula | C21H36O3S |
| InChI | InChI=1S/C21H36O3S/c1-15-8-9-18-20(4,16(15)14-24-25(6,22)23)13-10-17-19(2,3)11-7-12-21(17,18)5/h8,16-18H,7,9-14H2,1-6H3/t16-,17?,18?,20+,21+/m1/s1 |
| InChIKey | WZQBLWZWOTXSDE-VWHSNLPJSA-N |
| Molecular Weight | 368.576 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(COS(=O)(=O)C)[H])C)C |