| SpectraBase Compound ID | FNkD9t6qEdq |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-14-16-6-7-18-21(4)10-5-9-20(3,13-25-15(2)23)17(21)8-11-22(18,12-16)19(14)24/h16-18H,1,5-13H2,2-4H3/t16-,17-,18+,20-,21-,22-/m1/s1 |
| InChIKey | PCIAHXQFOUORIJ-UQYSYHQNSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XcDIVcqLUH |
|---|---|
| Name | 18-Acetoxy-15-oxo-ent-kaur-16-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.235144887 u |
| Formula | C22H32O3 |
| InChI | InChI=1S/C22H32O3/c1-14-16-6-7-18-21(4)10-5-9-20(3,13-25-15(2)23)17(21)8-11-22(18,12-16)19(14)24/h16-18H,1,5-13H2,2-4H3/t16-,17-,18+,20-,21-,22-/m1/s1 |
| InChIKey | PCIAHXQFOUORIJ-UQYSYHQNSA-N |
| Molecular Weight | 344.495 g/mol |
| SMILES | [C@]123C(C(=C)[C@@](C3)(CC[C@]2([C@@]2(CCC[C@@]([C@]2(CC1)[H])(COC(=O)C)C)C)[H])[H])=O |