| SpectraBase Spectrum ID |
D96AAhgbn8J |
| Name |
1.alpha.-fluoro-25-hydroxycholecalciferol |
| Alternate Name(s) |
(1R,3R,5Z,7E)-1-fluoro-9,10-secocholesta-5,7,10-triene-3,25-diol |
| CAS Registry Number |
95586-94-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43FO2 |
| InChI |
InChI=1S/C27H43FO2/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(28)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24?,25-,27-/m1/s1 |
| InChIKey |
ARPWBNOBVVRSKQ-GSMZWGLTSA-N |
| Molecular Weight |
418.637 g/mol |
| SMILES |
O[C@]1(C[C@](C(\C(=C/C=C/2C3[C@@]([C@@]([C@@](CCCC(O)(C)C)(C)[H])(CC3)[H])(CCC2)C)C1)=C)(F)[H])[H] |
| SPLASH |
splash10-0a4i-9008000000-c840db166bd2cae5bc9b |
| Source of Spectrum |
J-55-247-18 |
| Wiley ID |
1377437 |
