| SpectraBase Spectrum ID |
B40OkUTIREm |
| Name |
4,4-Difluoro-1.alpha.,25-dihydroxyvitamin D3 |
| Alternate Name(s) |
(1S,3S)-4,4-Difluoro-5-[2-[(1R,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-6-methylene-cyclohexane-1,3-diol
(1S,3S,5Z,7E)-4,4-difluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42F2O3 |
| InChI |
InChI=1S/C27H42F2O3/c1-17(8-6-14-25(3,4)32)20-12-13-22-19(9-7-15-26(20,22)5)10-11-21-18(2)23(30)16-24(31)27(21,28)29/h10-11,17,20,22-24,30-32H,2,6-9,12-16H2,1,3-5H3/b19-10+,21-11-/t17-,20-,22?,23+,24+,26-/m1/s1 |
| InChIKey |
GCODTJZESMVHBK-WIQMEJQUSA-N |
| Molecular Weight |
452.627 g/mol |
| SMILES |
O[C@@]1(C(\C(=C/C=C/2C3[C@@]([C@@]([C@@](CCCC(O)(C)C)(C)[H])(CC3)[H])(CCC2)C)C([C@](C1)(O)[H])=C)(F)F)[H] |
| SPLASH |
splash10-0079-0906600000-647a9453fa5c18f37277 |
| Source of Spectrum |
AT-40-1700-2 |
| Wiley ID |
854431 |
