| SpectraBase Compound ID | 9MFGaMY0KKy |
|---|---|
| InChI | InChI=1S/C33H52S/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-13,23-25,27-31H,9-11,14-22H2,1-5H3/t24-,25+,27-,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | IZUPPHBUDJDDNE-YTNABCQCSA-N |
| Mol Weight | 480.8 g/mol |
| Molecular Formula | C33H52S |
| Exact Mass | 480.378973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nfCAqwZoJb |
|---|---|
| Name | 5.alpha.-Cholestane, 3.alpha.-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 480.378972848 u |
| Formula | C33H52S |
| InChI | InChI=1S/C33H52S/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-13,23-25,27-31H,9-11,14-22H2,1-5H3/t24-,25+,27-,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | IZUPPHBUDJDDNE-YTNABCQCSA-N |
| Molecular Weight | 480.839 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](SC=2C=CC=CC2)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |