| SpectraBase Compound ID | EjaZo9tML5h |
|---|---|
| InChI | InChI=1S/C24H40O2Si/c1-16(25)20-9-10-21-19-8-7-17-15-18(26-27(4,5)6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,18-22H,8-15H2,1-6H3/t18-,19-,20+,21-,22-,23-,24+/m0/s1 |
| InChIKey | MQAKMQDJWRHTAA-CVGDDBFFSA-N |
| Mol Weight | 388.7 g/mol |
| Molecular Formula | C24H40O2Si |
| Exact Mass | 388.279757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRAEFHFl5y7 |
|---|---|
| Name | Pregnenolone, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.279757061 u |
| Formula | C24H40O2Si |
| InChI | InChI=1S/C24H40O2Si/c1-16(25)20-9-10-21-19-8-7-17-15-18(26-27(4,5)6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,18-22H,8-15H2,1-6H3/t18-,19-,20+,21-,22-,23-,24+/m0/s1 |
| InChIKey | MQAKMQDJWRHTAA-CVGDDBFFSA-N |
| Molecular Weight | 388.667 g/mol |
| SMILES | [C@@]12(C(C[C@](CC2)(O[Si](C)(C)C)[H])=CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@@]1(C(C)=O)[H])[H])C)[H])[H])C |