| SpectraBase Compound ID | 4qo4s0Xnafc |
|---|---|
| InChI | InChI=1S/C31H68O7Si5/c1-24(2)31(20-18-25(19-21-31)22-32-39(3,4)5)35-30-29(38-43(15,16)17)28(37-42(12,13)14)27(36-41(9,10)11)26(34-30)23-33-40(6,7)8/h18,24,26-30H,19-23H2,1-17H3/t26-,27-,28+,29-,30+,31?/m1/s1 |
| InChIKey | FHVQQMSXDWVPJJ-WWMRYPBGSA-N |
| Mol Weight | 693.3 g/mol |
| Molecular Formula | C31H68O7Si5 |
| Exact Mass | 692.381137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jxqz36qIUZh |
|---|---|
| Name | 4-(Hydroxymethyl)-1-(1-methylethyl)-3-cyclohexen-1-yl .beta.-D-glucopyranoside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 692.381137198 u |
| Formula | C31H68O7Si5 |
| InChI | InChI=1S/C31H68O7Si5/c1-24(2)31(20-18-25(19-21-31)22-32-39(3,4)5)35-30-29(38-43(15,16)17)28(37-42(12,13)14)27(36-41(9,10)11)26(34-30)23-33-40(6,7)8/h18,24,26-30H,19-23H2,1-17H3/t26-,27-,28+,29-,30+,31?/m1/s1 |
| InChIKey | FHVQQMSXDWVPJJ-WWMRYPBGSA-N |
| SMILES | [C@@]1(OC2(CC=C(CC2)CO[Si](C)(C)C)C(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H] |