Chem
J-GLOBAL ID：200907034682191580
Nikkaji number：J1.352.046A
(E)-19-Fluoro-1α,25-dihydroxyvitamin D3
(E)-19-フルオロ-1α,25-ジヒドロキシビタミンD3
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C27H43FO3
Molecular formula furigana： C27-H43-F-O3
Molecular weight： 434.636
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
InChI key：
FYKDFTBGRZTDCR-ACWGMTNDSA-N
SMILES：
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)/C3=C/F)/CCC[C@]12C
Systematic name (4)：
- (10E)-1α,25-ジヒドロキシ-19-フルオロコレカルシフェロール
- (19E)-19-フルオロ-1α,25-ジヒドロキシコレカルシフェロール
- (1R,3S,4E,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-(フルオロメチリデン)シクロヘキサン-1,3-ジオール
- (1R,3S,4E,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-(fluoromethylidene)cyclohexane-1,3-diol
- (10E)-1α,25-Dihydroxy-19-fluorocholecalciferol
- (19E)-19-Fluoro-1α,25-dihydroxycholecalciferol
- (E)-19-フルオロ-1α,25-ジヒドロキシビタミンD3
- (E)-19-Fluoro-1α,25-dihydroxyvitamin D3
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