| SpectraBase Spectrum ID |
3a2r72Qcx5x |
| Name |
Cholest-5-en-19-al, 3.beta.-hydroxy-, p-toluenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.342981260 u |
| Formula |
C34H50O4S |
| InChI |
InChI=1S/C34H50O4S/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/h9-13,22-23,25,27,29-32H,6-8,14-21H2,1-5H3 |
| InChIKey |
BHAMBEHLGAZLHV-UHFFFAOYSA-N |
| Molecular Weight |
554.830 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] |
