| SpectraBase Compound ID | StRKzd7MSw |
|---|---|
| InChI | InChI=1S/C29H56O6Si3/c1-11-12-13-17-24(33-36(2,3)4)19-20-25-26(27(31)22-28(25)34-37(5,6)7)21-23(30)16-14-15-18-29(32)35-38(8,9)10/h19-20,24-26,28H,11-18,21-22H2,1-10H3/b20-19+/t24-,25+,26+,28+/m0/s1 |
| InChIKey | YFSWCNQOCLRNTJ-DCAPMWAGSA-N |
| Mol Weight | 585.0 g/mol |
| Molecular Formula | C29H56O6Si3 |
| Exact Mass | 584.338469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78GWXTgfV6o |
|---|---|
| Name | 6-Ketoprostaglandin E1, 3tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 584.338469122 u |
| Formula | C29H56O6Si3 |
| InChI | InChI=1S/C29H56O6Si3/c1-11-12-13-17-24(33-36(2,3)4)19-20-25-26(27(31)22-28(25)34-37(5,6)7)21-23(30)16-14-15-18-29(32)35-38(8,9)10/h19-20,24-26,28H,11-18,21-22H2,1-10H3/b20-19+/t24-,25+,26+,28+/m0/s1 |
| InChIKey | YFSWCNQOCLRNTJ-DCAPMWAGSA-N |
| Molecular Weight | 585.016 g/mol |
| SMILES | C(CCCCC(C[C@]1(C(C[C@]([C@@]1(\C=C\[C@](CCCCC)(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])=O)[H])=O)(=O)O[Si](C)(C)C |