| SpectraBase Compound ID | LkT1IcnVG2L |
|---|---|
| InChI | InChI=1S/C35H62O9Si5/c1-45(2,3)38-24-27-23-28(41-46(4,5)6)21-22-29(27)39-35-33(44-49(13,14)15)32(43-48(10,11)12)31(42-47(7,8)9)30(40-35)25-37-34(36)26-19-17-16-18-20-26/h16-23,30-33,35H,24-25H2,1-15H3/t30-,31-,32+,33-,35-/m1/s1 |
| InChIKey | AUCTVKCATYEXGZ-ZXRSUHRQSA-N |
| Mol Weight | 767.3 g/mol |
| Molecular Formula | C35H62O9Si5 |
| Exact Mass | 766.324016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPRKYRbMYYh |
|---|---|
| Name | Poliothyrsoside, 6tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 766.324016242 u |
| Formula | C35H62O9Si5 |
| InChI | InChI=1S/C35H62O9Si5/c1-45(2,3)38-24-27-23-28(41-46(4,5)6)21-22-29(27)39-35-33(44-49(13,14)15)32(43-48(10,11)12)31(42-47(7,8)9)30(40-35)25-37-34(36)26-19-17-16-18-20-26/h16-23,30-33,35H,24-25H2,1-15H3/t30-,31-,32+,33-,35-/m1/s1 |
| InChIKey | AUCTVKCATYEXGZ-ZXRSUHRQSA-N |
| Molecular Weight | 767.297 g/mol |
| SMILES | [C@@]1(OC2=CC=C(O[Si](C)(C)C)C=C2CO[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(COC(C1=CC=CC=C1)=O)[H])[H])[H])[H])[H] |