| SpectraBase Compound ID | GtIIIcurUUK |
|---|---|
| InChI | InChI=1S/C29H64O9Si5/c1-22(34-39(2,3)4)20-18-17-19-21-23(30)32-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(33-29)28(31)38-43(14,15)16/h22,24-27,29H,17-21H2,1-16H3/t22?,24-,25+,26?,27+,29+/m0/s1 |
| InChIKey | HJHASEYWMOUJNV-LBXJPZBVSA-N |
| Mol Weight | 697.2 g/mol |
| Molecular Formula | C29H64O9Si5 |
| Exact Mass | 696.339666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VFdOi8KBi1 |
|---|---|
| Name | 7-oh-Octanoyl glucuronide tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 696.339666307 u |
| Formula | C29H64O9Si5 |
| InChI | InChI=1S/C29H64O9Si5/c1-22(34-39(2,3)4)20-18-17-19-21-23(30)32-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(33-29)28(31)38-43(14,15)16/h22,24-27,29H,17-21H2,1-16H3/t22?,24-,25+,26?,27+,29+/m0/s1 |
| InChIKey | HJHASEYWMOUJNV-LBXJPZBVSA-N |
| SMILES | [C@]1([C@]([C@@](O[Si](C)(C)C)([C@@](OC1C(O[Si](C)(C)C)=O)(OC(=O)CCCCCC(O[Si](C)(C)C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H] |