| SpectraBase Compound ID | 8Onxs7e8oaa |
|---|---|
| InChI | InChI=1S/C30H62O8Si5/c1-39(2,3)32-20-23-17-16-22-18-19-31-29(25(22)23)35-30-28(38-43(13,14)15)27(37-42(10,11)12)26(36-41(7,8)9)24(34-30)21-33-40(4,5)6/h17-19,22,24-30H,16,20-21H2,1-15H3/t22-,24-,25+,26+,27+,28-,29+,30+/m1/s1 |
| InChIKey | NIHKNEUCGBPPSV-CIUWTMCUSA-N |
| Mol Weight | 691.2 g/mol |
| Molecular Formula | C30H62O8Si5 |
| Exact Mass | 690.329102 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOoa2rSBiqe |
|---|---|
| Name | Bartsioside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 690.329101623 u |
| Formula | C30H62O8Si5 |
| InChI | InChI=1S/C30H62O8Si5/c1-39(2,3)32-20-23-17-16-22-18-19-31-29(25(22)23)35-30-28(38-43(13,14)15)27(37-42(10,11)12)26(36-41(7,8)9)24(34-30)21-33-40(4,5)6/h17-19,22,24-30H,16,20-21H2,1-15H3/t22-,24-,25+,26+,27+,28-,29+,30+/m1/s1 |
| InChIKey | NIHKNEUCGBPPSV-CIUWTMCUSA-N |
| Molecular Weight | 691.243 g/mol |
| SMILES | [C@]12([H])C(CO[Si](C)(C)C)=CC[C@]2([H])C=CO[C@]1(O[C@@]1(O[C@](CO[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H])[H] |