1,25-Dihydroxy-26,27-dimethylcholecalciferol

trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-ethyl-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Also Known As: 26,27-Dimethylcalcitriol|1,25-Dihydroxy-26,27-dimethylvitamin D3|1,25-Dihydroxy-26,27-dimethylcholecalciferol|SID:172080066|1alpha,25-Dihydroxy-26,27-dimethylvitamin D3|1alpha,25-Dihydroxy-26,27-dimethylcholecalciferol|(5Z,7E)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol|(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-ethyl-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol|1alpha,25-dihydroxy-26,27-dimethylvitamin D3 / 1alpha,25-dihydroxy-26,27-dimethylcholecalciferol|(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ethyl-6-hydroxyoctan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol|1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-ethyl-5-hydroxy-1-methylheptyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-|26,27-Dinor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 25,25-diethyl-, (1alpha,3beta,5Z,7E)-

Molecular Formula	C29H48O3
Molecular Weight	444.36035 g/mol
LogP	6.4849
Topological Polar Surface Area	60.69 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	8
Exact Mass	444.36035
Monoisotopic Mass	444.36035
Heavy Atoms	32
Complexity	715.91364

Chemical Identifiers

CAS Number	97473-92-2
SMILES	CCC(CC)(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O