| SpectraBase Compound ID | G2x8FRsSJQU |
|---|---|
| InChI | InChI=1S/C34H61ClO6Si4/c1-42(2,3)38-29(26-37-28-19-17-18-27(35)24-28)22-23-31-30(20-15-13-14-16-21-34(36)41-45(10,11)12)32(39-43(4,5)6)25-33(31)40-44(7,8)9/h13,15,17-19,22-24,29-33H,14,16,20-21,25-26H2,1-12H3/b15-13-,23-22+/t29-,30-,31-,32+,33-/m1/s1 |
| InChIKey | HLPVNNDUYABADM-QWSFAIICSA-N |
| Mol Weight | 713.6 g/mol |
| Molecular Formula | C34H61ClO6Si4 |
| Exact Mass | 712.323374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8t8xtKrEuYT |
|---|---|
| Name | Trimethylsilyl derivative of cloprostenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 712.323373518 u |
| Formula | C34H61ClO6Si4 |
| InChI | InChI=1S/C34H61ClO6Si4/c1-42(2,3)38-29(26-37-28-19-17-18-27(35)24-28)22-23-31-30(20-15-13-14-16-21-34(36)41-45(10,11)12)32(39-43(4,5)6)25-33(31)40-44(7,8)9/h13,15,17-19,22-24,29-33H,14,16,20-21,25-26H2,1-12H3/b15-13-,23-22+/t29-,30-,31-,32+,33-/m1/s1 |
| InChIKey | HLPVNNDUYABADM-QWSFAIICSA-N |
| SMILES | [C@]1([C@](\C=C\[C@@](O[Si](C)(C)C)(COC2=CC(Cl)=CC=C2)[H])([C@@](C\C=C/CCCC(O[Si](C)(C)C)=O)([C@](C1)(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H] |