| SpectraBase Compound ID | AJZh5NLvVA6 |
|---|---|
| InChI | InChI=1S/C24H31NO6/c1-16(2)24(29,17(3)31-21(27)10-9-18-7-5-4-6-8-18)23(28)30-15-19-11-13-25-14-12-20(26)22(19)25/h4-11,16-17,20,22,26,29H,12-15H2,1-3H3/b10-9+/t17?,20-,22+,24?/m0/s1 |
| InChIKey | PJJDXGUZICJPQG-LOIWZEMVSA-N |
| Mol Weight | 429.51 g/mol |
| Molecular Formula | C24H31NO6 |
| Exact Mass | 429.215138 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 996CLj2nIlX |
|---|---|
| Name | 3'-(Cinnamoyl)-Echinatine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31NO6 |
| InChI | InChI=1S/C24H31NO6/c1-16(2)24(29,17(3)31-21(27)10-9-18-7-5-4-6-8-18)23(28)30-15-19-11-13-25-14-12-20(26)22(19)25/h4-11,16-17,20,22,26,29H,12-15H2,1-3H3/b10-9+/t17?,20-,22+,24?/m0/s1 |
| InChIKey | PJJDXGUZICJPQG-LOIWZEMVSA-N |
| Molecular Weight | 429.513 g/mol |
| SMILES | O[C@]1(CCN2[C@@]1(C(COC(C(C(OC(\C=C\c1ccccc1)=O)C)(C(C)C)O)=O)=CC2)[H])[H] |
| SPLASH | splash10-001c-2900000000-25ad720b5f8016962d74 |
| Source of Spectrum | X2-52-117-10 |
| Wiley ID | 1603038 |