| SpectraBase Spectrum ID |
GGTNFKJMJhX |
| Name |
9.alpha.-Fluoro-8-oxo-des-A,B-cholestane |
| Alternate Name(s) |
(5R)-1-(1,5-dimethylhexyl)-5-fluoro-7a-methyloctahydro-4H-inden-4-one |
| CAS Registry Number |
138313-13-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H31FO |
| InChI |
InChI=1S/C18H31FO/c1-12(2)6-5-7-13(3)14-8-9-15-17(20)16(19)10-11-18(14,15)4/h12-16H,5-11H2,1-4H3/t13?,14?,15?,16-,18?/m1/s1 |
| InChIKey |
NFEFCAMZFHWLFD-QFQXCOSMSA-N |
| Molecular Weight |
282.443 g/mol |
| SMILES |
C12(C(C(=O)[C@@](CC2)(F)[H])CCC1C(CCCC(C)C)C)C |
| SPLASH |
splash10-00di-0090000000-57f3e42162002cf4aab8 |
| Source of Spectrum |
J-57-1600-4 |
| Wiley ID |
1286316 |
