| SpectraBase Spectrum ID |
3S9z1JE63LV |
| Name |
(5Z,7E,10Z)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3,25-triol [10Z)-19-fluoro-1.alpha.,25-dihydroxyvitamin D3] |
| Alternate Name(s) |
(1R,3S,4Z,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-(fluoromethylidene)cyclohexane-1,3-diol
(1R,3S,4Z,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-(fluoranylmethylidene)cyclohexane-1,3-diol |
| 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-FZTNSQDISA-N |
| Molecular Weight |
434.636 g/mol |
| SMILES |
O[C@]1(C[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])[H] |
| SPLASH |
splash10-000j-0769300000-0f3a4e30e2e5958974bb |
| Source of Spectrum |
E2-48-1492-2 |
| Wiley ID |
1555340 |
![(5Z,7E,10Z)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3,25-triol [10Z)-19-fluoro-1.alpha.,25-dihydroxyvitamin D3]](/api/spectrum/3S9z1JE63LV/structure.png?h=300&w=458 "(5Z,7E,10Z)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3,25-triol [10Z)-19-fluoro-1.alpha.,25-dihydroxyvitamin D3]")
