| SpectraBase Compound ID | Kd4PlSAdf38 |
|---|---|
| InChI | InChI=1S/C33H62O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-27-28(21-18-15-16-19-22-31(35)36-8)30(25-29(27)34)38-40(11,12)33(5,6)7/h15,18,23-24,26-28,30H,13-14,16-17,19-22,25H2,1-12H3/b18-15-,24-23+/t26-,27?,28-,30+/m0/s1 |
| InChIKey | ADCYFDCIHDTSMZ-NFUUENICSA-N |
| Mol Weight | 595.0 g/mol |
| Molecular Formula | C33H62O5Si2 |
| Exact Mass | 594.413578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hs55TTADogD |
|---|---|
| Name | Dmips-ether of prostaglandin D2-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.413578161 u |
| Formula | C33H62O5Si2 |
| InChI | InChI=1S/C33H62O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-27-28(21-18-15-16-19-22-31(35)36-8)30(25-29(27)34)38-40(11,12)33(5,6)7/h15,18,23-24,26-28,30H,13-14,16-17,19-22,25H2,1-12H3/b18-15-,24-23+/t26-,27?,28-,30+/m0/s1 |
| InChIKey | ADCYFDCIHDTSMZ-NFUUENICSA-N |
| Molecular Weight | 595.024 g/mol |
| SMILES | [C@@]1(CC(=O)C([C@@]1(C\C=C/CCCC(=O)OC)[H])\C=C\[C@@](O[Si](C(C)(C)C)(C)C)(CCCCC)[H])(O[Si](C(C)(C)C)(C)C)[H] |