| SpectraBase Compound ID | 98D6IZT8Gdz |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-14(23)26-22(20(4,5)25)11-8-16-15(13-22)17(24)12-18-19(2,3)9-7-10-21(16,18)6/h13,16,18,25H,7-12H2,1-6H3/t16-,18-,21+,22+/m0/s1 |
| InChIKey | ALLKXWBZGIHBKJ-FBRLZHCOSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vnMhmKf3LU |
|---|---|
| Name | 13.beta.Acetoxy-15-hydroxyabiet-8(14)-en-7-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-14(23)26-22(20(4,5)25)11-8-16-15(13-22)17(24)12-18-19(2,3)9-7-10-21(16,18)6/h13,16,18,25H,7-12H2,1-6H3/t16-,18-,21+,22+/m0/s1 |
| InChIKey | ALLKXWBZGIHBKJ-FBRLZHCOSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C12=C[C@@](OC(=O)C)(C(O)(C)C)CC[C@@]1([C@]1(CCCC([C@@]1(CC2=O)[H])(C)C)C)[H] |