| SpectraBase Compound ID | eHikOOavRd |
|---|---|
| InChI | InChI=1S/C27H50O3Si2/c1-19(29-31(4,5)6)27(28)17-14-24-22-11-10-20-18-21(30-32(7,8)9)12-15-25(20,2)23(22)13-16-26(24,27)3/h10,19,21-24,28H,11-18H2,1-9H3/t19-,21-,22+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | JKUJPHNVUQLZHQ-RTNRBAOHSA-N |
| Mol Weight | 478.9 g/mol |
| Molecular Formula | C27H50O3Si2 |
| Exact Mass | 478.329849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUxKgpCkNTT |
|---|---|
| Name | Pregn-5-ene-3,17,20-triol, (3.beta.,20S)-, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.329848537 u |
| Formula | C27H50O3Si2 |
| InChI | InChI=1S/C27H50O3Si2/c1-19(29-31(4,5)6)27(28)17-14-24-22-11-10-20-18-21(30-32(7,8)9)12-15-25(20,2)23(22)13-16-26(24,27)3/h10,19,21-24,28H,11-18H2,1-9H3/t19-,21-,22+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | JKUJPHNVUQLZHQ-RTNRBAOHSA-N |
| Molecular Weight | 478.864 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(O[Si](C)(C)C)[H])[H])[H])(CC[C@@]1([C@@](O[Si](C)(C)C)(C)[H])O)[H] |