| SpectraBase Compound ID | AB7cQdHTi1Z |
|---|---|
| InChI | InChI=1S/C33H62O9Si4/c1-23-18-19-24(2)25(22-23)36-21-17-20-33(3,4)32(35)38-31-29(41-45(11,12)13)27(40-44(8,9)10)26(39-43(5,6)7)28(37-31)30(34)42-46(14,15)16/h18-19,22,26-29,31H,17,20-21H2,1-16H3 |
| InChIKey | ZHSXILYUBYNTRD-UHFFFAOYSA-N |
| Mol Weight | 715.2 g/mol |
| Molecular Formula | C33H62O9Si4 |
| Exact Mass | 714.34709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6nKpkCSX72 |
|---|---|
| Name | Pertrimethylsilylated gemfibrozil glucuronide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 714.347089707 u |
| Formula | C33H62O9Si4 |
| InChI | InChI=1S/C33H62O9Si4/c1-23-18-19-24(2)25(22-23)36-21-17-20-33(3,4)32(35)38-31-29(41-45(11,12)13)27(40-44(8,9)10)26(39-43(5,6)7)28(37-31)30(34)42-46(14,15)16/h18-19,22,26-29,31H,17,20-21H2,1-16H3 |
| InChIKey | ZHSXILYUBYNTRD-UHFFFAOYSA-N |
| Molecular Weight | 715.190 g/mol |
| SMILES | C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(C(CCCOC1=C(C=CC(=C1)C)C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C |