| SpectraBase Compound ID | 904btWeTRk2 |
|---|---|
| InChI | InChI=1S/C22H33ClO2/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h16-19H,1,5-13H2,2-4H3/t16?,17-,18?,19-,20+,21-,22-/m0/s1 |
| InChIKey | JEEPMBYWFHVWBE-VROWWYQCSA-N |
| Mol Weight | 365.0 g/mol |
| Molecular Formula | C22H33ClO2 |
| Exact Mass | 364.216908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAef7N5hKI9 |
|---|---|
| Name | 7.beta.-Acetoxy-18-chloro-ent-kaur-16-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.216908001 u |
| Formula | C22H33ClO2 |
| InChI | InChI=1S/C22H33ClO2/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h16-19H,1,5-13H2,2-4H3/t16?,17-,18?,19-,20+,21-,22-/m0/s1 |
| InChIKey | JEEPMBYWFHVWBE-VROWWYQCSA-N |
| Molecular Weight | 364.957 g/mol |
| SMILES | [C@@]123[C@]([C@@]4(CCC[C@@](C4C[C@@]3(OC(=O)C)[H])(CCl)C)C)(CCC(C2)C(C1)=C)[H] |