| SpectraBase Compound ID | LpxWMojFWph |
|---|---|
| InChI | InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-31-29(18-20-33(27,28)5)32(4)19-17-26(34-36(6,7)8)21-25(32)22-30(31)35-37(9,10)11/h22-24,26-31H,12-21H2,1-11H3/t24-,26+,27-,28+,29+,30-,31+,32+,33-/m1/s1 |
| InChIKey | OOKKWPKBWGMRMW-QHPXTOJYSA-N |
| Mol Weight | 547.0 g/mol |
| Molecular Formula | C33H62O2Si2 |
| Exact Mass | 546.428834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SWO80Z8mau |
|---|---|
| Name | 5-Cholestene-3B,7A-diol tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.428834304 u |
| Formula | C33H62O2Si2 |
| InChI | InChI=1S/C33H62O2Si2/c1-23(2)13-12-14-24(3)27-15-16-28-31-29(18-20-33(27,28)5)32(4)19-17-26(34-36(6,7)8)21-25(32)22-30(31)35-37(9,10)11/h22-24,26-31H,12-21H2,1-11H3/t24-,26+,27-,28+,29+,30-,31+,32+,33-/m1/s1 |
| InChIKey | OOKKWPKBWGMRMW-QHPXTOJYSA-N |
| Molecular Weight | 547.027 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](C=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C)(C)C)(C4)[H])C)(O[Si](C)(C)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |