| SpectraBase Compound ID | 53kU6yWbgVS |
|---|---|
| InChI | InChI=1S/C37H74O11Si6/c1-49(2,3)41-26-28-31(44-50(4,5)6)32(45-51(7,8)9)29(24-39-28)42-37-35(48-54(16,17)18)34(47-53(13,14)15)33(46-52(10,11)12)30(43-37)25-40-36(38)27-22-20-19-21-23-27/h19-23,28-35,37H,24-26H2,1-18H3/t28-,29+,30-,31-,32-,33+,34+,35-,37+/m1/s1 |
| InChIKey | IMVIWOLQBMJFIG-GZIMPKPSSA-N |
| Mol Weight | 863.5 g/mol |
| Molecular Formula | C37H74O11Si6 |
| Exact Mass | 862.384672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JznHwGKvsgA |
|---|---|
| Name | Polygalatenoside A, 6tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 862.384672402 u |
| Formula | C37H74O11Si6 |
| InChI | InChI=1S/C37H74O11Si6/c1-49(2,3)41-26-28-31(44-50(4,5)6)32(45-51(7,8)9)29(24-39-28)42-37-35(48-54(16,17)18)34(47-53(13,14)15)33(46-52(10,11)12)30(43-37)25-40-36(38)27-22-20-19-21-23-27/h19-23,28-35,37H,24-26H2,1-18H3/t28-,29+,30-,31-,32-,33+,34+,35-,37+/m1/s1 |
| InChIKey | IMVIWOLQBMJFIG-GZIMPKPSSA-N |
| Molecular Weight | 863.498 g/mol |
| SMILES | C1[C@](O[C@@]2([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O2)(COC(C2=CC=CC=C2)=O)[H])[H])[H])[H])[H])([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H] |