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5,6-trans-Calcitriol

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For Research Use Only | Not For Clinical Use
CATAPS73837248
CAS73837-24-8
Structure
Synonyms1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aS)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5E)-, 1α,25-Dihydroxy-5,6-trans-vitamin D3, 5,6-trans-Calcitriol, 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1α,3β,5E,7E)- (9CI), 5,6-trans-1α,25-Dihydroxyvitamin D3, 1,25-Dihydroxy-5,6-trans-vitamin D3, trans-Calcitriol, (1R,3S,5E)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aS)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
IUPAC Name(1R,3S,5E)-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-methylidenecyclohexane-1,3-diol
Molecular Weight416.64
Molecular FormulaC27H44O3
Canonical SMILESC[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)\CCC[C@]12C
InChIInChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27-/m1/s1
Accurate Mass416.329
FormatNeat
SubcategoryChiral molecules, Impurity standards
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