| SpectraBase Compound ID | 7ZG9djCdQoL |
|---|---|
| InChI | InChI=1S/C26H44O4Si2/c1-19-10-13-26(3)22(24(27)30-32(7,8)9)16-21(29-31(4,5)6)17-23(26)25(19,2)14-11-20-12-15-28-18-20/h12,15-16,18-19,21,23H,10-11,13-14,17H2,1-9H3/t19-,21-,23?,25+,26-/m1/s1 |
| InChIKey | GALBYWZKDBUYSB-NVFPCSCUSA-N |
| Mol Weight | 476.8 g/mol |
| Molecular Formula | C26H44O4Si2 |
| Exact Mass | 476.277813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xnc7E1Rmpy |
|---|---|
| Name | 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.277812963 u |
| Formula | C26H44O4Si2 |
| InChI | InChI=1S/C26H44O4Si2/c1-19-10-13-26(3)22(24(27)30-32(7,8)9)16-21(29-31(4,5)6)17-23(26)25(19,2)14-11-20-12-15-28-18-20/h12,15-16,18-19,21,23H,10-11,13-14,17H2,1-9H3/t19-,21-,23?,25+,26-/m1/s1 |
| InChIKey | GALBYWZKDBUYSB-NVFPCSCUSA-N |
| Molecular Weight | 476.804 g/mol |
| SMILES | [C@@]1(C=C(C(=O)O[Si](C)(C)C)[C@]2(CC[C@]([C@@](C2C1)(CCC1=COC=C1)C)(C)[H])C)(O[Si](C)(C)C)[H] |