| SpectraBase Spectrum ID |
4zdiDySGZcV |
| Name |
Cholest-5-ene-3.beta.,19-diol, 3-p-toluenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.358631324 u |
| Formula |
C34H52O4S |
| InChI |
InChI=1S/C34H52O4S/c1-23(2)7-6-8-25(4)30-15-16-31-29-14-11-26-21-27(38-39(36,37)28-12-9-24(3)10-13-28)17-20-34(26,22-35)32(29)18-19-33(30,31)5/h9-13,23,25,27,29-32,35H,6-8,14-22H2,1-5H3 |
| InChIKey |
GVZRUUZYFRABOF-UHFFFAOYSA-N |
| Molecular Weight |
556.846 g/mol |
| SMILES |
C(O)[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC=C2C[C@](CC1)(OS(=O)(=O)C1=CC=C(C=C1)C)[H])[H])[H] |
