| SpectraBase Compound ID | JnShk1SlFK8 |
|---|---|
| InChI | InChI=1S/C31H68O7Si5/c1-24(2)19-20-26(35-40(7,8)9)25(3)21-22-32-31-30(38-43(16,17)18)29(37-42(13,14)15)28(36-41(10,11)12)27(34-31)23-33-39(4,5)6/h19,21,26-31H,20,22-23H2,1-18H3/b25-21+/t26-,27+,28+,29-,30+,31+/m0/s1 |
| InChIKey | HKWYOTLDZFAMFD-IUEFWFTHSA-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 | 5hJ3MDZxWzt |
|---|---|
| Name | Rosiridin, 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)19-20-26(35-40(7,8)9)25(3)21-22-32-31-30(38-43(16,17)18)29(37-42(13,14)15)28(36-41(10,11)12)27(34-31)23-33-39(4,5)6/h19,21,26-31H,20,22-23H2,1-18H3/b25-21+/t26-,27+,28+,29-,30+,31+/m0/s1 |
| InChIKey | HKWYOTLDZFAMFD-IUEFWFTHSA-N |
| SMILES | C[Si](C)(C)O[C@](\C(C)=C\CO[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])(CC=C(C)C)[H] |