| SpectraBase Compound ID | 3EzprN5xrlg |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-12-14-4-5-18-20(3)10-16(25-13(2)23)8-15(11-22)17(20)6-7-21(18,9-14)19(12)24/h14-19,22,24H,1,4-11H2,2-3H3/t14?,15-,16+,17?,18-,19-,20+,21+/m0/s1 |
| InChIKey | KNIWPJFFKYTHNW-HHVOVXQTSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ctKeoTYXbs |
|---|---|
| Name | 2-Acetyl-atractylitriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-12-14-4-5-18-20(3)10-16(25-13(2)23)8-15(11-22)17(20)6-7-21(18,9-14)19(12)24/h14-19,22,24H,1,4-11H2,2-3H3/t14?,15-,16+,17?,18-,19-,20+,21+/m0/s1 |
| InChIKey | KNIWPJFFKYTHNW-HHVOVXQTSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | OC[C@@]1(C[C@](C[C@]2([C@]3([C@]4(CC(C([C@@]4(O)[H])=C)CC3)CCC12)[H])C)(OC(=O)C)[H])[H] |
| SPLASH | splash10-0006-9201000000-943fe10e25cb7b830a44 |
| Source of Spectrum | H-2005-2114-13 |
| Wiley ID | 1562799 |