| SpectraBase Compound ID | CPPsx8ajbdi |
|---|---|
| InChI | InChI=1S/C35H52O2S/c1-25(2)10-9-11-26(3)31-16-17-32-30-15-14-28-24-29(37-38(36)23-20-27-12-7-6-8-13-27)18-21-34(28,4)33(30)19-22-35(31,32)5/h6-8,12-14,20,23,25-26,29-33H,9-11,15-19,21-22,24H2,1-5H3/b23-20+/t26-,29?,30?,31-,32?,33?,34+,35-,38?/m1/s1 |
| InChIKey | MGEHWTMRSBMGNF-ZZONFYQISA-N |
| Mol Weight | 536.9 g/mol |
| Molecular Formula | C35H52O2S |
| Exact Mass | 536.368802 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H0eYpGjbY6L |
|---|---|
| Name | Cholesteryl (Rs)-(E)-2-phenylethenesulfinate |
| Alternate Name(s) | Cholest-5-en-3-yl (E)-2-phenylethenesulfinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H52O2S |
| InChI | InChI=1S/C35H52O2S/c1-25(2)10-9-11-26(3)31-16-17-32-30-15-14-28-24-29(37-38(36)23-20-27-12-7-6-8-13-27)18-21-34(28,4)33(30)19-22-35(31,32)5/h6-8,12-14,20,23,25-26,29-33H,9-11,15-19,21-22,24H2,1-5H3/b23-20+/t26-,29?,30?,31-,32?,33?,34+,35-,38?/m1/s1 |
| InChIKey | MGEHWTMRSBMGNF-ZZONFYQISA-N |
| Molecular Weight | 536.859 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OS(\C=C\c2ccccc2)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-052f-9100000000-7d567083189990cadf09 |
| Source of Spectrum | QC-11-4851-2 |
| Wiley ID | 860271 |