| SpectraBase Compound ID | 2b1k1oCO21v |
|---|---|
| InChI | InChI=1S/C35H68O7Si4/c1-16-25(2)35(37)38-32-23-29(40-44(7,8)9)21-27-18-17-26(3)31(34(27)32)20-19-28(39-43(4,5)6)22-30(41-45(10,11)12)24-33(36)42-46(13,14)15/h17-18,21,25-26,28-32,34H,16,19-20,22-24H2,1-15H3/t25-,26-,28+,29+,30+,31-,32-,34?/m0/s1 |
| InChIKey | RPCGKAZGPRBGJX-CDPLSWFTSA-N |
| Mol Weight | 713.3 g/mol |
| Molecular Formula | C35H68O7Si4 |
| Exact Mass | 712.404211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaZpAYRW9Vh |
|---|---|
| Name | Pravastatin , 4tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 712.404210663 u |
| Formula | C35H68O7Si4 |
| InChI | InChI=1S/C35H68O7Si4/c1-16-25(2)35(37)38-32-23-29(40-44(7,8)9)21-27-18-17-26(3)31(34(27)32)20-19-28(39-43(4,5)6)22-30(41-45(10,11)12)24-33(36)42-46(13,14)15/h17-18,21,25-26,28-32,34H,16,19-20,22-24H2,1-15H3/t25-,26-,28+,29+,30+,31-,32-,34?/m0/s1 |
| InChIKey | RPCGKAZGPRBGJX-CDPLSWFTSA-N |
| SMILES | C12[C@](C[C@](O[Si](C)(C)C)(C=C2C=C[C@@]([C@@]1(CC[C@@](O[Si](C)(C)C)(C[C@@](O[Si](C)(C)C)(CC(O[Si](C)(C)C)=O)[H])[H])[H])(C)[H])[H])(OC(=O)[C@@](C)(CC)[H])[H] |