| SpectraBase Compound ID | KNkI6S4p0rL |
|---|---|
| InChI | InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20?,22?,23+/m0/s1 |
| InChIKey | RXWFRYPIQODUHW-NFXUCOAQSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C23H38O2Si |
| Exact Mass | 374.264107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iM0FAJj2aA |
|---|---|
| Name | Abietinic acid tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.264106997 u |
| Formula | C23H38O2Si |
| InChI | InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20?,22?,23+/m0/s1 |
| InChIKey | RXWFRYPIQODUHW-NFXUCOAQSA-N |
| Molecular Weight | 374.640 g/mol |
| SMILES | [C@]12(C3(C([C@](C(O[Si](C)(C)C)=O)(CCC3)C)CC=C1C=C(CC2)C(C)C)C)[H] |