| SpectraBase Compound ID | 9OTPMzbaa3A |
|---|---|
| InChI | InChI=1S/C29H54O6Si2/c1-9-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-28(31)32-4)27(34-36(5,6)10-2)23-29(33-26)35-37(7,8)11-3/h13-14,16-17,21-22,24-27,29-30H,9-12,15,18-20,23H2,1-8H3/b16-13-,17-14+,22-21+/t24-,25+,26+,27-,29?/m0/s1 |
| InChIKey | GXUKHZVSZQZFRF-HYGMATDSSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C29H54O6Si2 |
| Exact Mass | 554.345893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIlxNSTytJG |
|---|---|
| Name | 11-Dehydrothromboxane-B2-methyl ester-dimethylethysilyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.345892523 u |
| Formula | C29H54O6Si2 |
| InChI | InChI=1S/C29H54O6Si2/c1-9-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-28(31)32-4)27(34-36(5,6)10-2)23-29(33-26)35-37(7,8)11-3/h13-14,16-17,21-22,24-27,29-30H,9-12,15,18-20,23H2,1-8H3/b16-13-,17-14+,22-21+/t24-,25+,26+,27-,29?/m0/s1 |
| InChIKey | GXUKHZVSZQZFRF-HYGMATDSSA-N |
| Molecular Weight | 554.915 g/mol |
| SMILES | [C@]1(CC(O[Si](CC)(C)C)O[C@@]([C@]1(C\C=C/C=C/CC(=O)OC)[H])(\C=C\[C@@](O)(CCCCC)[H])[H])(O[Si](CC)(C)C)[H] |