| SpectraBase Compound ID | Hot8MZ2iM86 |
|---|---|
| InChI | InChI=1S/C28H42O6S/c1-18-4-7-21(8-5-18)35(32,33)34-17-25(30)28(31)15-12-24-22-9-6-19-16-20(29)10-13-26(19,2)23(22)11-14-27(24,28)3/h4-5,7-8,19-20,22-25,29-31H,6,9-17H2,1-3H3/t19-,20-,22-,23+,24+,25-,26+,27+,28+/m1/s1 |
| InChIKey | IKKNGVHYZBHCAZ-CBFUVBISSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C28H42O6S |
| Exact Mass | 506.27021 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uqkqGnyFn7 |
|---|---|
| Name | 5β-pregnane-3α,17,20β,21-tetrol, 21-(p-toluenesulfonate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O6S |
| InChI | InChI=1S/C28H42O6S/c1-18-4-7-21(8-5-18)35(32,33)34-17-25(30)28(31)15-12-24-22-9-6-19-16-20(29)10-13-26(19,2)23(22)11-14-27(24,28)3/h4-5,7-8,19-20,22-25,29-31H,6,9-17H2,1-3H3/t19-,20-,22-,23+,24+,25-,26+,27+,28+/m1/s1 |
| InChIKey | IKKNGVHYZBHCAZ-CBFUVBISSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41704M |
| Solvent | CDCl3 |