| SpectraBase Compound ID | Ciojhttqui7 |
|---|---|
| InChI | InChI=1S/C27H52O2Si2/c1-10-19-11-12-22-21-18-25(29-31(7,8)9)24-17-20(28-30(4,5)6)13-15-27(24,3)23(21)14-16-26(19,22)2/h19-25H,10-18H2,1-9H3/t19-,20+,21+,22-,23-,24-,25-,26+,27+/m0/s1 |
| InChIKey | IZABDVFKADUSKU-DDUVCBMDSA-N |
| Mol Weight | 464.9 g/mol |
| Molecular Formula | C27H52O2Si2 |
| Exact Mass | 464.350584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qU7bZRDnDk |
|---|---|
| Name | 5B-Pregnane-3A,6A-diol tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.350583982 u |
| Formula | C27H52O2Si2 |
| InChI | InChI=1S/C27H52O2Si2/c1-10-19-11-12-22-21-18-25(29-31(7,8)9)24-17-20(28-30(4,5)6)13-15-27(24,3)23(21)14-16-26(19,22)2/h19-25H,10-18H2,1-9H3/t19-,20+,21+,22-,23-,24-,25-,26+,27+/m0/s1 |
| InChIKey | IZABDVFKADUSKU-DDUVCBMDSA-N |
| Molecular Weight | 464.881 g/mol |
| SMILES | [C@@]12([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)(CC)[H])[H])([H])C[C@@]([C@@]2(C[C@](O[Si](C)(C)C)(CC1)[H])[H])(O[Si](C)(C)C)[H])[H])C |