| SpectraBase Compound ID | 6eH7rf6XkEM |
|---|---|
| InChI | InChI=1S/C39H66O10Si5/c1-41-29-21-22-30(31-25-35(40)43-32(31)23-27-17-19-28(20-18-27)46-51(5,6)7)33(24-29)44-39-38(49-54(14,15)16)37(48-53(11,12)13)36(47-52(8,9)10)34(45-39)26-42-50(2,3)4/h17-22,24-25,32,34,36-39H,23,26H2,1-16H3/t32?,34-,36-,37+,38-,39-/m1/s1 |
| InChIKey | JDKPLWVQXPOSNQ-KXSRMBNPSA-N |
| Mol Weight | 835.4 g/mol |
| Molecular Formula | C39H66O10Si5 |
| Exact Mass | 834.350231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7u35yZbNBta |
|---|---|
| Name | Sophoraside A, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 834.350230990 u |
| Formula | C39H66O10Si5 |
| InChI | InChI=1S/C39H66O10Si5/c1-41-29-21-22-30(31-25-35(40)43-32(31)23-27-17-19-28(20-18-27)46-51(5,6)7)33(24-29)44-39-38(49-54(14,15)16)37(48-53(11,12)13)36(47-52(8,9)10)34(45-39)26-42-50(2,3)4/h17-22,24-25,32,34,36-39H,23,26H2,1-16H3/t32?,34-,36-,37+,38-,39-/m1/s1 |
| InChIKey | JDKPLWVQXPOSNQ-KXSRMBNPSA-N |
| Molecular Weight | 835.372 g/mol |
| SMILES | C1(=CC(OC1CC1=CC=C(C=C1)O[Si](C)(C)C)=O)C1=CC=C(C=C1O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])OC |