| SpectraBase Compound ID | CHLeqDWobPd |
|---|---|
| InChI | InChI=1S/C28H54O7Si4/c1-15-16-21-17-18-22(23(19-21)29-2)31-28-27(35-39(12,13)14)26(34-38(9,10)11)25(33-37(6,7)8)24(32-28)20-30-36(3,4)5/h15,17-19,24-28H,1,16,20H2,2-14H3/t24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | IMDFWCIKKSUZKK-RKFAPSRVSA-N |
| Mol Weight | 615.1 g/mol |
| Molecular Formula | C28H54O7Si4 |
| Exact Mass | 614.29466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xO7mAs2ewX |
|---|---|
| Name | Citrusin C, 4tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 614.294660212 u |
| Formula | C28H54O7Si4 |
| InChI | InChI=1S/C28H54O7Si4/c1-15-16-21-17-18-22(23(19-21)29-2)31-28-27(35-39(12,13)14)26(34-38(9,10)11)25(33-37(6,7)8)24(32-28)20-30-36(3,4)5/h15,17-19,24-28H,1,16,20H2,2-14H3/t24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | IMDFWCIKKSUZKK-RKFAPSRVSA-N |
| Molecular Weight | 615.073 g/mol |
| SMILES | [C@@]1(OC2=C(OC)C=C(CC=C)C=C2)([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] |