| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9R57CTKlTO7 |
|---|---|
| Name | 19,19-Difluorocholesteryl acetate |
| CAS Registry Number | 73197-94-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SPLASH | splash10-0udm-0581900000-0b190530506d124dfa3f |
| Source of Spectrum | J-45-2203-0 |
| Synonyms | 19,19-difluorocholest-5-en-3-yl acetate |
| Wiley ID | 1391611 |