| SpectraBase Compound ID | A8Oxf5nh24j |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-13-7-18(28-14(2)24)20-21(3,12-23)9-16(25)10-22(20,4)17(13)6-5-15-8-19(26)27-11-15/h8,16,18,20,23,25H,5-7,9-12H2,1-4H3/t16-,18-,20-,21+,22+/m0/s1 |
| InChIKey | SSHXEFFLUHQYJI-WROXGLCASA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8vQijnSFK1M |
|---|---|
| Name | Amoenolide A - 6-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-13-7-18(28-14(2)24)20-21(3,12-23)9-16(25)10-22(20,4)17(13)6-5-15-8-19(26)27-11-15/h8,16,18,20,23,25H,5-7,9-12H2,1-4H3/t16-,18-,20-,21+,22+/m0/s1 |
| InChIKey | SSHXEFFLUHQYJI-WROXGLCASA-N |
| Molecular Weight | 392.492 g/mol |
| SMILES | OC[C@]1(C[C@@](C[C@]2([C@]1([C@](CC(=C2CCC1=CC(=O)OC1)C)(OC(=O)C)[H])[H])C)(O)[H])C |
| SPLASH | splash10-0006-9000000000-550b42b5af337b3813f8 |
| Source of Spectrum | X2-57-773-3 |
| Wiley ID | 1605423 |