| SpectraBase Spectrum ID |
KcJdAi39ZKm |
| Name |
4,4-Difluorocholestan-3.beta.-yl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48F2O2 |
| InChI |
InChI=1S/C29H48F2O2/c1-18(2)8-7-9-19(3)22-11-12-23-21-10-13-25-28(6,24(21)14-16-27(22,23)5)17-15-26(29(25,30)31)33-20(4)32/h18-19,21-26H,7-17H2,1-6H3/t19-,21?,22-,23?,24?,25?,26+,27-,28-/m1/s1 |
| InChIKey |
JLFPYHBMXSTOOQ-WOEYIHKESA-N |
| Molecular Weight |
466.698 g/mol |
| SMILES |
[C@@]12(C(C(F)(F)[C@](CC2)(OC(=O)C)[H])CCC2C3CC[C@@]([C@]3(CCC12)C)([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-000i-0009300000-3999aef99c67be9afd90 |
| Source of Spectrum |
KC-0-3197-25 |
| Synonyms |
(3beta)-4,4-difluorocholestan-3-yl acetate |
| Wiley ID |
829486 |
