| SpectraBase Compound ID | JHKiNZflvxs |
|---|---|
| InChI | 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 |
| InChIKey | QYBUWJRMHQVYLH-CFTXVFNZSA-N |
| Mol Weight | 766.7 g/mol |
| Molecular Formula | C35H48F14O2 |
| Exact Mass | 766.343075 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7pUH9LDsA9G |
|---|---|
| Name | Cholestanyl 2-hydroperfluorooctanoate |
| CAS Registry Number | 127471-18-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H48F14O2 |
| InChI | 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 |
| InChIKey | QYBUWJRMHQVYLH-CFTXVFNZSA-N |
| Molecular Weight | 766.745 g/mol |
| SMILES | C(C(C(C(C(OC1CC2CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)([C@@](CCCC(C)C)(C)[H])[H])=O)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| SPLASH | splash10-066s-9321001100-1ea875bd57ca317d47ce |
| Source of Spectrum | F-45-6478-2 |
| Wiley ID | 1416640 |