| SpectraBase Compound ID | LS55ApGf8mt |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1 |
| InChIKey | BJPSSVHNEGMBDQ-OAACRXHESA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EFL2CnBGqAR |
|---|---|
| Name | Achillin |
| Alternate Name(s) | (3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione (3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-quinone (3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1 |
| InChIKey | BJPSSVHNEGMBDQ-OAACRXHESA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | [C@]12([C@]3(OC(=O)[C@@]([C@@]3(CCC(=C1C(=O)C=C2C)C)[H])(C)[H])[H])[H] |
| SPLASH | splash10-0006-7190000000-e7fc9f721ab34401a5f5 |
| Source of Spectrum | Y5-65-766-3 |
| Wiley ID | 1546307 |