| SpectraBase Compound ID | LCwj2zYq81 |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-7-12(5)9-17(22)25-16-10-15(11(3)4)19-14(8-2)20(23)21(24)18(19)13(16)6/h8-9,11,15-16,18-19,21,24H,6-7,10H2,1-5H3/b12-9+,14-8-/t15-,16+,18-,19-,21-/m0/s1 |
| InChIKey | XIHBGQCDMKEISV-POWHXYEKSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyhFZ9pAKV2 |
|---|---|
| Name | 1-ALPHA-HYDROXY-7-BETA-(4-METHYLSENECIOYLOXY)-OPLOPA-3(14)Z,8(10)-DIEN-2-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-7-12(5)9-17(22)25-16-10-15(11(3)4)19-14(8-2)20(23)21(24)18(19)13(16)6/h8-9,11,15-16,18-19,21,24H,6-7,10H2,1-5H3/b12-9+,14-8-/t15-,16+,18-,19-,21-/m0/s1 |
| InChIKey | XIHBGQCDMKEISV-POWHXYEKSA-N |
| Literature Reference Author | W.LI,X.HUANG,X.W.YANG |
| Literature Reference Citation | FITOTERAPIA,83,318(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2011.11.011 |
| Molecular Weight | 346.467 g/mol |
| Sample ID | 71793 |
| Solvent | CDCl3 |