| SpectraBase Spectrum ID |
70TLdGD88ms |
| Name |
1.alpha.-fluoro-25-hydroxyergocalciferol |
| CAS Registry Number |
123836-66-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H43FO2 |
| InChI |
InChI=1S/C28H43FO2/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(30)17-26(29)20(22)3/h9-12,18-19,23-26,30-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26+,28-/m1/s1 |
| InChIKey |
WLDVAQXTKGAISQ-KPKHAADHSA-N |
| Molecular Weight |
430.648 g/mol |
| SMILES |
O[C@]1(C[C@@](C(\C(=C/C=C/2C3[C@@]([C@@]([C@@](\C=C\[C@@](C(O)(C)C)(C)[H])(C)[H])(CC3)[H])(CCC2)C)C1)=C)(F)[H])[H] |
| SPLASH |
splash10-0a4l-9067000000-348e0efdba1a69815461 |
| Source of Spectrum |
J-55-247-21 |
| Synonyms |
(1S,3R,5Z,7E,22E)-1-fluoro-9,10-secoergosta-5,7,10,22-tetraene-3,25-diol |
| Wiley ID |
1381752 |
