| SpectraBase Compound ID | 2EPDrhrn7oa |
|---|---|
| InChI | InChI=1S/C31H56O4Si3/c1-14-15-16-20-26-23-28(33-36(5,6)7)27(22-21-25(4)19-17-18-24(2)3)30(34-37(8,9)10)29(26)31(32)35-38(11,12)13/h18,21,23H,14-17,19-20,22H2,1-13H3/b25-21+ |
| InChIKey | ORQYXZHFPIFJJN-NJNXFGOHSA-N |
| Mol Weight | 577.0 g/mol |
| Molecular Formula | C31H56O4Si3 |
| Exact Mass | 576.34864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3V8COBNi8Py |
|---|---|
| Name | Cannabigerolic acid 3tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.348639884 u |
| Formula | C31H56O4Si3 |
| InChI | InChI=1S/C31H56O4Si3/c1-14-15-16-20-26-23-28(33-36(5,6)7)27(22-21-25(4)19-17-18-24(2)3)30(34-37(8,9)10)29(26)31(32)35-38(11,12)13/h18,21,23H,14-17,19-20,22H2,1-13H3/b25-21+ |
| InChIKey | ORQYXZHFPIFJJN-NJNXFGOHSA-N |
| Molecular Weight | 577.040 g/mol |
| SMILES | C=1(C(=C(C(=CC1CCCCC)O[Si](C)(C)C)C\C=C\(CCC=C(C)C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=O |