| SpectraBase Compound ID | G5gpkMLn9DZ |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-12-7-6-9-21(3,4)15-8-10-22(5,17(12)15)18-14-11-16(24)26-20(18)27-19(14)25-13(2)23/h14-15,17-20H,1,6-11H2,2-5H3/t14-,15+,17+,18-,19-,20-,22?/m1/s1 |
| InChIKey | KUMXKDACHVUJFQ-WEAWQQGESA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4EhSOaWITpo |
|---|---|
| Name | Aplyviolene |
| CAS Registry Number | 104371-86-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-12-7-6-9-21(3,4)15-8-10-22(5,17(12)15)18-14-11-16(24)26-20(18)27-19(14)25-13(2)23/h14-15,17-20H,1,6-11H2,2-5H3/t14-,15+,17+,18-,19-,20-,22?/m1/s1 |
| InChIKey | KUMXKDACHVUJFQ-WEAWQQGESA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | C1([C@]2([C@]3(O[C@]([C@@]2(CC(=O)O3)[H])(OC(=O)C)[H])[H])[H])([C@@]2([C@](C(CCCC2=C)(C)C)([H])CC1)[H])C |
| SPLASH | splash10-0006-9400000000-5d16feb446470cc33c1d |
| Source of Spectrum | B-43-1868-1 |
| Wiley ID | 1357876 |