| SpectraBase Compound ID | 4KrrziuytsW |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10-/t12?,14-,16+,18?,20+,21-/m0/s1 |
| InChIKey | LXJSFBJEYLPDJS-NIGKRMFCSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JNb0kTvuVnK |
|---|---|
| Name | Norketocassamic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10-/t12?,14-,16+,18?,20+,21-/m0/s1 |
| InChIKey | LXJSFBJEYLPDJS-NIGKRMFCSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | OC(\C=C\1CC[C@@]2([C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CC(C2C1C)=O)[H])C)[H])=O |
| SPLASH | splash10-0ab9-6931000000-44397bd25ef1a2be35ab |
| Source of Spectrum | EP-7990-0-0 |
| Synonyms | (2Z)-[(4alpha)-15-methoxy-14-methyl-7,15-dioxopodocarpan-13-ylidene]ethanoic acid |
| Wiley ID | 1349726 |