| SpectraBase Compound ID | 5RpjiTKZNLK |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-14(24)26-18-11-16-20(4)15(19(2,3)7-6-17(20)25)5-8-21(16)9-10-22(18,12-21)13-23/h9-10,15-18,23,25H,5-8,11-13H2,1-4H3/t15-,16+,17+,18-,20-,21+,22-/m1/s1 |
| InChIKey | FAXNCFASJYDJQE-XHMTVPDMSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1sUyPHbAW6T |
|---|---|
| Name | 12-Acetyljativatriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-14(24)26-18-11-16-20(4)15(19(2,3)7-6-17(20)25)5-8-21(16)9-10-22(18,12-21)13-23/h9-10,15-18,23,25H,5-8,11-13H2,1-4H3/t15-,16+,17+,18-,20-,21+,22-/m1/s1 |
| InChIKey | FAXNCFASJYDJQE-XHMTVPDMSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | O[C@]1(CCC([C@@]2([C@@]1([C@@]1(C[C@]([C@]3(CO)C=C[C@@]1(CC2)C3)(OC(=O)C)[H])[H])C)[H])(C)C)[H] |
| SPLASH | splash10-0udi-3109000000-ce5c48d9044a53784c2a |
| Source of Spectrum | CF-9-155-45 |
| Wiley ID | 1556647 |