| SpectraBase Compound ID | 4nQDijx5o0K |
|---|---|
| InChI | InChI=1S/C36H62O9Si5/c1-46(2,3)41-29-19-16-27(17-20-29)18-25-32(37)38-26-31-33(43-48(7,8)9)34(44-49(10,11)12)35(45-50(13,14)15)36(40-31)39-28-21-23-30(24-22-28)42-47(4,5)6/h16-25,31,33-36H,26H2,1-15H3/b25-18+/t31-,33-,34+,35-,36-/m1/s1 |
| InChIKey | RCNDCKGUNNSBMR-YEKVTMQQSA-N |
| Mol Weight | 779.3 g/mol |
| Molecular Formula | C36H62O9Si5 |
| Exact Mass | 778.324016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AarkvHmtoOA |
|---|---|
| Name | Robustaside A, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 778.324016242 u |
| Formula | C36H62O9Si5 |
| InChI | InChI=1S/C36H62O9Si5/c1-46(2,3)41-29-19-16-27(17-20-29)18-25-32(37)38-26-31-33(43-48(7,8)9)34(44-49(10,11)12)35(45-50(13,14)15)36(40-31)39-28-21-23-30(24-22-28)42-47(4,5)6/h16-25,31,33-36H,26H2,1-15H3/b25-18+/t31-,33-,34+,35-,36-/m1/s1 |
| InChIKey | RCNDCKGUNNSBMR-YEKVTMQQSA-N |
| Molecular Weight | 779.308 g/mol |
| SMILES | [C@@]1(OC2=CC=C(C=C2)O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(COC(\C=C\C1=CC=C(C=C1)O[Si](C)(C)C)=O)[H])[H])[H])[H])[H] |