| SpectraBase Compound ID | LYLXMcRJMs0 |
|---|---|
| InChI | InChI=1S/C27H52O7Si4/c1-19-16-15-17-21(23(19)20(2)28)30-27-26(34-38(12,13)14)25(33-37(9,10)11)24(32-36(6,7)8)22(31-27)18-29-35(3,4)5/h15-17,22,24-27H,18H2,1-14H3/t22-,24-,25+,26-,27-/m1/s1 |
| InChIKey | XZUUDYYNGKTNCO-UIKHAHSZSA-N |
| Mol Weight | 601.0 g/mol |
| Molecular Formula | C27H52O7Si4 |
| Exact Mass | 600.27901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tPI6yAu9Wa |
|---|---|
| Name | Juniperoside iii, 4tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 600.279010147 u |
| Formula | C27H52O7Si4 |
| InChI | InChI=1S/C27H52O7Si4/c1-19-16-15-17-21(23(19)20(2)28)30-27-26(34-38(12,13)14)25(33-37(9,10)11)24(32-36(6,7)8)22(31-27)18-29-35(3,4)5/h15-17,22,24-27H,18H2,1-14H3/t22-,24-,25+,26-,27-/m1/s1 |
| InChIKey | XZUUDYYNGKTNCO-UIKHAHSZSA-N |
| Molecular Weight | 601.046 g/mol |
| SMILES | C(C)(C1=C(C=CC=C1C)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])=O |