| SpectraBase Compound ID | AWt6zjaiJJy |
|---|---|
| InChI | InChI=1S/C31H48F6O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(39-27(38)26(32)30(33,34)31(35,36)37)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26H,6-17H2,1-5H3/t19-,20?,21?,22?,23-,24?,25?,26?,28+,29-/m1/s1 |
| InChIKey | PKDCFHNYSDLGPL-CFTXVFNZSA-N |
| Mol Weight | 566.7 g/mol |
| Molecular Formula | C31H48F6O2 |
| Exact Mass | 566.35585 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KxhBXuHPrsw |
|---|---|
| Name | Cholestanyl 2-hydroperfluorobutanoate |
| Alternate Name(s) | Cholestanyl 2-hydroperfluorobutyrate |
| CAS Registry Number | 127420-78-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48F6O2 |
| InChI | InChI=1S/C31H48F6O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(39-27(38)26(32)30(33,34)31(35,36)37)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26H,6-17H2,1-5H3/t19-,20?,21?,22?,23-,24?,25?,26?,28+,29-/m1/s1 |
| InChIKey | PKDCFHNYSDLGPL-CFTXVFNZSA-N |
| Molecular Weight | 566.713 g/mol |
| SMILES | C(C(C(OC1CC2CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)([C@@](CCCC(C)C)(C)[H])[H])=O)F)(C(F)(F)F)(F)F |
| SPLASH | splash10-066r-9320230000-88ed7bb1808330b06272 |
| Source of Spectrum | F-45-6475-2 |
| Wiley ID | 1407324 |