| SpectraBase Compound ID | 9HjMaLyVSgR |
|---|---|
| InChI | InChI=1S/C29H46F2O2/c1-18(2)7-6-8-19(3)24-11-12-25-23-10-9-21-17-22(33-20(4)32)13-16-29(21,27(30)31)26(23)14-15-28(24,25)5/h9,18-19,22-27H,6-8,10-17H2,1-5H3/t19-,22?,23?,24-,25?,26?,28-,29-/m1/s1 |
| InChIKey | CQSPDUZHWOJMGW-LEAXASMBSA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C29H46F2O2 |
| Exact Mass | 464.346587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LN3GsIzZ1UL |
|---|---|
| Name | 19,19-Difluorocholesteryl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.346587045 u |
| Formula | C29H46F2O2 |
| InChI | InChI=1S/C29H46F2O2/c1-18(2)7-6-8-19(3)24-11-12-25-23-10-9-21-17-22(33-20(4)32)13-16-29(21,27(30)31)26(23)14-15-28(24,25)5/h9,18-19,22-27H,6-8,10-17H2,1-5H3/t19-,22?,23?,24-,25?,26?,28-,29-/m1/s1 |
| InChIKey | CQSPDUZHWOJMGW-LEAXASMBSA-N |
| Molecular Weight | 464.682 g/mol |
| SMILES | [C@]12(C(=CCC3C4CC[C@@]([C@]4(CCC23)C)([C@@](CCCC(C)C)(C)[H])[H])CC(OC(=O)C)CC1)C(F)F |