| SpectraBase Compound ID | L0jpfxhR6T9 |
|---|---|
| InChI | InChI=1S/C31H45F7O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-27(20,4)25(22)14-16-28(23,24)5)40-26(39)29(32,33)30(34,35)31(36,37)38/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21?,22?,23-,24?,25?,27+,28-/m1/s1 |
| InChIKey | UGFHVHIEZCURFA-AWEQCRHCSA-N |
| Mol Weight | 582.7 g/mol |
| Molecular Formula | C31H45F7O2 |
| Exact Mass | 582.330778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LcB0Ax0muR |
|---|---|
| Name | Cholest-5-en-3-ol (3.beta.)-, heptafluorobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 582.330777828 u |
| Formula | C31H45F7O2 |
| InChI | InChI=1S/C31H45F7O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-27(20,4)25(22)14-16-28(23,24)5)40-26(39)29(32,33)30(34,35)31(36,37)38/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21?,22?,23-,24?,25?,27+,28-/m1/s1 |
| InChIKey | UGFHVHIEZCURFA-AWEQCRHCSA-N |
| Molecular Weight | 582.688 g/mol |
| SMILES | C(C(C(OC1CC2=CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)([C@@](CCCC(C)C)(C)[H])[H])=O)(F)F)(C(F)(F)F)(F)F |