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2-Fluorovitamin D3 [103638-37-5]

 
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Identification
Copyright
CAS # 103638-37-5, 2-Fluorovitamin D3
Name
2-Fluorovitamin D3
Synonyms
(1S,2S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Fluoro-4-Methylene-Cyclohexan-1-Ol; (1S,2S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Fluoro-4-Methylene-1-Cyclohexanol; (1S,2S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-7A-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Fluoro-4-Methylidene-Cyclohexan-1-Ol
Molecular Formula
C27H43FO
Molecular Weight 402.63
CAS Registry Number
103638-37-5
SMILES
[C@]13([C@H](\C(CCC1)=C\C=C\2C(C[C@H](F)[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCCC(C)C)C)C
InChI
1S/C27H43FO/c1-18(2)8-6-9-19(3)23-13-14-24-21(10-7-15-27(23,24)5)11-12-22-17-26(29)25(28)16-20(22)4/h11-12,18-19,23-26,29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24+,25+,26+,27-/m1/s1
InChIKey BRKJGWLWZNQAQB-HUEPGBSESA-N
down Properties
Desity 1g/cm3 (Cal.)
Boiling point 500.657°C at 760 mmHg (Cal.)
Flash point 310.228°C (Cal.)
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