| SpectraBase Compound ID | 76N35iwE86k |
|---|---|
| InChI | InChI=1S/C29H52O10Si4/c1-31-20-17-19-15-16-22(30)35-23(19)26(24(20)32-2)36-29-28(39-43(12,13)14)27(38-42(9,10)11)25(37-41(6,7)8)21(34-29)18-33-40(3,4)5/h15-17,21,25,27-29H,18H2,1-14H3/t21-,25-,27+,28-,29+/m1/s1 |
| InChIKey | ZOIRVTFVXDMUCR-UQISNNMSSA-N |
| Mol Weight | 673.1 g/mol |
| Molecular Formula | C29H52O10Si4 |
| Exact Mass | 672.263754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeZcSAavs0r |
|---|---|
| Name | Fraxidinglucoside, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.263754004 u |
| Formula | C29H52O10Si4 |
| InChI | InChI=1S/C29H52O10Si4/c1-31-20-17-19-15-16-22(30)35-23(19)26(24(20)32-2)36-29-28(39-43(12,13)14)27(38-42(9,10)11)25(37-41(6,7)8)21(34-29)18-33-40(3,4)5/h15-17,21,25,27-29H,18H2,1-14H3/t21-,25-,27+,28-,29+/m1/s1 |
| InChIKey | ZOIRVTFVXDMUCR-UQISNNMSSA-N |
| SMILES | C1(C=CC2=C(O1)C(=C(C(=C2)OC)OC)O[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])=O |