| SpectraBase Compound ID | DbKFdT3tq8u |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-8-5-11(20-10(3)18)6-16(4)7-12-13(9(2)15(19)21-12)14-17(8,16)22-14/h8,11-14H,2,5-7H2,1,3-4H3/t8-,11-,12?,13?,14-,16+,17-/m0/s1 |
| InChIKey | AOVLGLZOEXTWJV-VNBWPDSMSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ShqijGr2lc |
|---|---|
| Name | 2.alpha.-Acetoxy-5,6-epoxy-alantolactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-8-5-11(20-10(3)18)6-16(4)7-12-13(9(2)15(19)21-12)14-17(8,16)22-14/h8,11-14H,2,5-7H2,1,3-4H3/t8-,11-,12?,13?,14-,16+,17-/m0/s1 |
| InChIKey | AOVLGLZOEXTWJV-VNBWPDSMSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | [C@@]123[C@](C4C(C(=O)OC4C[C@]3(C[C@](C[C@@]1(C)[H])(OC(=O)C)[H])C)=C)(O2)[H] |
| SPLASH | splash10-004j-0090000000-4813af525a3273a30e4a |
| Source of Spectrum | X2-51-623-4 |
| Wiley ID | 1602760 |