| SpectraBase Spectrum ID |
78WQGg7iAmq |
| Name |
(5E,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3,25-triol |
| Alternate Name(s) |
(5Z,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3,25-triol [(10E)-19-fluoro-1.alpha.,25-dihydroxyvitamin D3] |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43FO3 |
| InChI |
InChI=1S/C27H43FO3/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b19-9+,20-10-,22-17-/t18-,21-,23-,24+,25?,27-/m1/s1 |
| InChIKey |
FYKDFTBGRZTDCR-MBUOPAOXSA-N |
| Molecular Weight |
434.636 g/mol |
| SMILES |
OC1C[C@@](C\C(\C1=C/F)=C/C=C/1[C@]2([C@@]([C@](CC2)([C@@](CCCC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H] |
| SPLASH |
splash10-03y1-0729400000-15ae4ae9bc62afb6e13a |
| Source of Spectrum |
E2-48-1493-3 |
| Wiley ID |
1555338 |
