(3β,5α)-Cholestan-3-ol 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctanoate (CHEM119942)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 07:27:26 UTC | ||||||||
| Update Date | 2026-05-21 08:14:49 UTC | ||||||||
| Accession Number | CHEM119942 | ||||||||
| Identification | |||||||||
| Common Name | (3β,5α)-Cholestan-3-ol 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H48F14O2 | ||||||||
| Average Molecular Mass | 766.745 g/mol | ||||||||
| Monoisotopic Mass | 766.343 g/mol | ||||||||
| CAS Registry Number | 123613-18-3 | ||||||||
| IUPAC Name | (3beta,5alpha,20R)-Cholestan-3-yl 2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C(C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C([H])(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C35H48F14O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-28(20,4)25(22)14-16-29(23,24)5)51-27(50)26(36)30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)35(47,48)49/h18-26H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26?,28+,29-/m1/s1 | ||||||||
| InChI Key | QYBUWJRMHQVYLH-UANRBNDJSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
