| SpectraBase Compound ID | KwBCrGfHOXk |
|---|---|
| InChI | InChI=1S/C17H20O5/c1-8-7-12(21-10(3)18)14-9(2)16(20)22-15(14)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12-,14+,15+,17-/m0/s1 |
| InChIKey | NPSPVUBFDVINMA-VICSMPQUSA-N |
| Mol Weight | 304.34 g/mol |
| Molecular Formula | C17H20O5 |
| Exact Mass | 304.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FI7qLA9yyB6 |
|---|---|
| Name | 8.alpha.-acetoxy-ambrosin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O5 |
| InChI | InChI=1S/C17H20O5/c1-8-7-12(21-10(3)18)14-9(2)16(20)22-15(14)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12-,14+,15+,17-/m0/s1 |
| InChIKey | NPSPVUBFDVINMA-VICSMPQUSA-N |
| Molecular Weight | 304.342 g/mol |
| SMILES | [C@@]12([C@]3([C@](C(=C)C(O3)=O)([C@@](OC(=O)C)(C[C@@]([C@@]1(C=CC2=O)[H])(C)[H])[H])[H])[H])C |
| SPLASH | splash10-03dl-0090000000-ca7c012683a07461edb6 |
| Source of Spectrum | X2-49-137-7 |
| Wiley ID | 1601807 |