| SpectraBase Compound ID | HFkNMRPLjwU |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-12-13-3-6-16-19(9-13,18(12)23)8-7-14-4-5-15(21)10-20(14,16)11-17(22)24-2/h13-16,18,21,23H,1,3-11H2,2H3/t13-,14?,15-,16-,18+,19-,20?/m1/s1 |
| InChIKey | IJXOJDIHLYWORE-OGIJPDAISA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | dsejEHXq3 |
|---|---|
| Name | 4-Decarboxy-20-carbomethoxyatractylgenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-12-13-3-6-16-19(9-13,18(12)23)8-7-14-4-5-15(21)10-20(14,16)11-17(22)24-2/h13-16,18,21,23H,1,3-11H2,2H3/t13-,14?,15-,16-,18+,19-,20?/m1/s1 |
| InChIKey | IJXOJDIHLYWORE-OGIJPDAISA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | O[C@@]1(CCC2C([C@]3([C@]4(C[C@](C([C@@]4(O)[H])=C)(CC3)[H])CC2)[H])(CC(=O)OC)C1)[H] |
| SPLASH | splash10-015c-0479000000-a51c46c3a89d916b9743 |
| Source of Spectrum | AT-42-8291-3 |
| Wiley ID | 855361 |