| SpectraBase Compound ID | KtuJ48mfng3 |
|---|---|
| InChI | InChI=1S/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23+,24+/m1/s1 |
| InChIKey | JBAYXBWJNDAHDZ-ARWCKDSXSA-N |
| Mol Weight | 384.5 g/mol |
| Molecular Formula | C24H32O4 |
| Exact Mass | 384.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWlhOncKvyH |
|---|---|
| Name | Cinnamoylechinadiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.230059506 u |
| Formula | C24H32O4 |
| InChI | InChI=1S/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23+,24+/m1/s1 |
| InChIKey | JBAYXBWJNDAHDZ-ARWCKDSXSA-N |
| Molecular Weight | 384.516 g/mol |
| SMILES | C1C[C@@]2(C)[C@]([C@@]([C@@]([C@@](C\C(=C\1)C)(OC(\C=C\C1=CC=CC=C1)=O)[H])(C(C)C)[H])(O)[H])(O2)[H] |