![(1S,5S,6S,9S)-1-(t-Butyldimethylsilyloxy)-6-hydroxy-8-[(t-butyldimethylsilyloxy)methyl]-2-oxabicyclo[4.3.0]nona-3,7-diene-4-carboxylic acid](/api/spectrum/1OzmEiW7XqZ/structure.png?h=300&w=458 "(1S,5S,6S,9S)-1-(t-Butyldimethylsilyloxy)-6-hydroxy-8-[(t-butyldimethylsilyloxy)methyl]-2-oxabicyclo[4.3.0]nona-3,7-diene-4-carboxylic acid")
| SpectraBase Compound ID | 2JToQh6WOe5 |
|---|---|
| InChI | InChI=1S/C22H40O6Si2/c1-21(2,3)29(7,8)27-12-14-11-16(23)18-15(19(24)25)13-26-20(17(14)18)28-30(9,10)22(4,5)6/h11,13,16-18,20,23H,12H2,1-10H3,(H,24,25)/t16-,17+,18-,20-/m0/s1 |
| InChIKey | FRBYOPGBRHFAFH-DMUMMCEESA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C22H40O6Si2 |
| Exact Mass | 456.236342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OzmEiW7XqZ |
|---|---|
| Name | (1S,5S,6S,9S)-1-(T-Butyldimethylsilyloxy)-6-hydroxy-8-[(T-butyldimethylsilyloxy)methyl]-2-oxabicyclo[4.3.0]nona-3,7-diene-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.236342072 u |
| Formula | C22H40O6Si2 |
| InChI | InChI=1S/C22H40O6Si2/c1-21(2,3)29(7,8)27-12-14-11-16(23)18-15(19(24)25)13-26-20(17(14)18)28-30(9,10)22(4,5)6/h11,13,16-18,20,23H,12H2,1-10H3,(H,24,25)/t16-,17+,18-,20-/m0/s1 |
| InChIKey | FRBYOPGBRHFAFH-DMUMMCEESA-N |
| Molecular Weight | 456.726 g/mol |
| SMILES | C=1([C@@]2([C@](C(CO[Si](C(C)(C)C)(C)C)=C[C@@]2(O)[H])([H])[C@@](OC1)(O[Si](C(C)(C)C)(C)C)[H])[H])C(=O)O |