| SpectraBase Compound ID | 13JFUOnapwK |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-7-14(2)8-9-17-20(4)11-10-18(25)21(5,12-15(3)23)19(20)16(24)13-22(17,6)26/h7,16-19,24-26H,1-2,8-13H2,3-6H3/t16-,17?,18-,19?,20+,21+,22+/m1/s1 |
| InChIKey | QVUFZATUUMFZJL-DNYZMYAQSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62oV9zefPfR |
|---|---|
| Name | 18-Acetylandalusol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.261359635 u |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-7-14(2)8-9-17-20(4)11-10-18(25)21(5,12-15(3)23)19(20)16(24)13-22(17,6)26/h7,16-19,24-26H,1-2,8-13H2,3-6H3/t16-,17?,18-,19?,20+,21+,22+/m1/s1 |
| InChIKey | QVUFZATUUMFZJL-DNYZMYAQSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | [C@]12(C([C@@](CC(=O)C)([C@](O)(CC2)[H])C)[C@@](C[C@@](C1CCC(C=C)=C)(O)C)(O)[H])C |