| SpectraBase Compound ID | L2ZNt3zInkp |
|---|---|
| InChI | InChI=1S/C29H52S/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h20-27H,7-19H2,1-6H3 |
| InChIKey | MEQFTRKSIUIMGM-UHFFFAOYSA-N |
| Mol Weight | 432.8 g/mol |
| Molecular Formula | C29H52S |
| Exact Mass | 432.378973 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 57qgoirTOI4 |
|---|---|
| Name | Cholestane, 3-(ethylthio)-, (3.beta.,5.alpha.)- |
| CAS Registry Number | 54498-89-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52S |
| InChI | InChI=1S/C29H52S/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h20-27H,7-19H2,1-6H3 |
| InChIKey | MEQFTRKSIUIMGM-UHFFFAOYSA-N |
| Molecular Weight | 432.795 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CC(CC2)SCC)CCC1C(CCCC(C)C)C |
| SPLASH | splash10-0a4l-9411000000-8286728ca8c53f36de50 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3-(Ethylsulfanyl)cholestane 17-(1,5-dimethylhexyl)-3-(ethylthio)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 17-(1,5-dimethylhexyl)-3-ethylsulfanyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 3-(ethylthio)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 3-Ethylsulfanyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| Wiley ID | 1382548 |