| SpectraBase Spectrum ID |
Kfk0ys9Heip |
| Name |
(10E)-19-Fluorovitamin D3 |
| Alternate Name(s) |
(3S,5E,7E,10E)-19-fluoro-9,10-secocholesta-5,7,10-trien-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43FO |
| InChI |
InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b21-10+,22-11+,23-18+/t20-,24+,25-,26?,27-/m1/s1 |
| InChIKey |
GBYUWSOLZWQQPT-AWVKSAMYSA-N |
| Molecular Weight |
402.638 g/mol |
| SMILES |
O[C@@]1(C\C(=C/C=C/2C3[C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2)C)\C(=C\F)CC1)[H] |
| SPLASH |
splash10-000i-0900300000-093cd4f98128bc032d54 |
| Source of Spectrum |
AT-37-6754-2 |
| Wiley ID |
853636 |
