Chem
J-GLOBAL ID：200907007572950004   Nikkaji number：J760.306A

(10E)-19-Fluorocholecalciferol

(10E)-19-フルオロコレカルシフェロール
Substance type：
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
Molecular formula： C27H43FO
Molecular formula furigana： C27-H43-F-O
Molecular weight： 402.638
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
InChI key： GBYUWSOLZWQQPT-KQBPVQGJSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CC/C3=C\F)/CCC[C@]12C
Systematic name  (3)：
  • (10E)-19-フルオロコレカルシフェロール
  • (1S,3Z,4E)-3-{2-[(1R,3aS,4E,7aR)-7a-メチル-1-[(2R)-6-メチルヘプタン-2-イル]-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-オール
  • (1S,3Z,4E)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-(fluoromethylidene)cyclohexan-1-ol
Other name (1)：
  • (10E)-19-Fluorocholecalciferol
Thsaurus map：
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