| SpectraBase Compound ID | G0hTYQJ9Sqo |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20-/m0/s1 |
| InChIKey | DCFIJMVSAFTYKV-YOWJUQOHSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G5O35IxrHZ9 |
|---|---|
| Name | Isoagatholactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20-/m0/s1 |
| InChIKey | DCFIJMVSAFTYKV-YOWJUQOHSA-N |
| Molecular Weight | 302.458 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C2C1COC2=O)C |
| SPLASH | splash10-002f-0900000000-a1e92d943b070bdd15e0 |
| Source of Spectrum | X4-20-689-0 |
| Wiley ID | 1585747 |