| SpectraBase Compound ID | GFCIXVsJHQ8 |
|---|---|
| InChI | InChI=1S/C33H50S/c1-23(2)10-9-11-24(3)25-20-31-29-15-14-26-21-28(34-27-12-7-6-8-13-27)16-19-33(26,5)30(29)17-18-32(31,4)22-25/h6-8,12-14,23-25,28-31H,9-11,15-22H2,1-5H3/t24-,25+,28+,29-,30?,31+,32-,33+/m1/s1 |
| InChIKey | YMGDGBFJMSZHAO-JHFXOBNASA-N |
| Mol Weight | 478.8 g/mol |
| Molecular Formula | C33H50S |
| Exact Mass | 478.363323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8KBbHs6yjD5 |
|---|---|
| Name | 3.beta.-(Phenylthio)-cholest-5-ene |
| Appearance | White powder |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50S |
| InChI | InChI=1S/C33H50S/c1-23(2)10-9-11-24(3)25-20-31-29-15-14-26-21-28(34-27-12-7-6-8-13-27)16-19-33(26,5)30(29)17-18-32(31,4)22-25/h6-8,12-14,23-25,28-31H,9-11,15-22H2,1-5H3/t24-,25+,28+,29-,30?,31+,32-,33+/m1/s1 |
| InChIKey | YMGDGBFJMSZHAO-JHFXOBNASA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201806261 |
| Molecular Weight | 478.823 g/mol |
| Reported Formula | C33H50S] |
| SMILES | C1C[C@]2(C(C[C@]1(Sc1ccccc1)[H])=CC[C@@]1(C2CC[C@]2([C@]1(C[C@@](C2)([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-014i-4309000000-75921050fc07b590cf40 |
| Sample Comments | dr = 21:79 |
| Source of Spectrum | QE-25-SM31-3n.beta. |
| Wiley ID | 1848469 |