| SpectraBase Compound ID | Jn9w0SVYLtV |
|---|---|
| InChI | InChI=1S/C34H66O10Si5/c1-34(44-49(14,15)16,23-29(36)40-45(2,3)4)22-28(35)37-25-27-30(41-46(5,6)7)31(42-47(8,9)10)32(43-48(11,12)13)33(39-27)38-24-26-20-18-17-19-21-26/h17-21,27,30-33H,22-25H2,1-16H3/t27-,30-,31+,32-,33-,34?/m1/s1 |
| InChIKey | IYEAOQBNPRKAML-BADPPNLXSA-N |
| Mol Weight | 775.3 g/mol |
| Molecular Formula | C34H66O10Si5 |
| Exact Mass | 774.350231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QGJCv5Fte9 |
|---|---|
| Name | Undatuside A, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 774.350230990 u |
| Formula | C34H66O10Si5 |
| InChI | InChI=1S/C34H66O10Si5/c1-34(44-49(14,15)16,23-29(36)40-45(2,3)4)22-28(35)37-25-27-30(41-46(5,6)7)31(42-47(8,9)10)32(43-48(11,12)13)33(39-27)38-24-26-20-18-17-19-21-26/h17-21,27,30-33H,22-25H2,1-16H3/t27-,30-,31+,32-,33-,34?/m1/s1 |
| InChIKey | IYEAOQBNPRKAML-BADPPNLXSA-N |
| Molecular Weight | 775.317 g/mol |
| SMILES | C1=CC=CC(=C1)CO[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(CC(CC(O[Si](C)(C)C)=O)(C)O[Si](C)(C)C)=O)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H] |