RefChem:905704

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

Also Known As: 1,25-DAVD3|1,25-Dihydroxy-23-azavitamin D3|1alpha,25-Dihydroxy-23-azavitamin D3|1 alpha,25-dihydroxy-23-azavitamin D3|1alpha,25-Dihydroxy-23-aza-cholecalciferol|1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol|(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[(2-hydroxy-2-methylpropyl)amino]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol|(5Z,7E)-(1S,3R)-23-aza-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol|1alpha,25-dihydroxy-23-azavitamin D3 / 1alpha,25-dihydroxy-23-azacholecalciferol|4-Methylene-5-(2-(octahydro-1-(2-((2-hydroxy-2-methylpropyl)amino)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-1,3-cyclohexanediol (2R-(1alpha(S*),3abeta,4E(Z(1R*,3S*)),7aalpha))-|(1R,3S,5Z)-4-Methylene-5-((2E)-2-((1R,3aS,7aR)-octahydro-1-((1S)-2-((2-hydroxy-2-methylpropyl)amino)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-1,3-cyclohexanediol|(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1S)-2-[(2-hydroxy-2-methylpropyl)amino]-1-methylethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol|(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-1-[(2-hydroxy-2-methylpropyl)amino]propan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol|1,3-Cyclohexanediol, 4-methylene-5-(2-(octahydro-1-(2-((2-hydroxy-2-methylpropyl)amino)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (2R-(1alpha(S*),3abeta,4E(Z(1R*,3S*)),7aalpha))-

Molecular Formula	C26H43NO3
Molecular Weight	417.32428 g/mol
LogP	4.124
Topological Polar Surface Area	72.72 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	417.32428
Monoisotopic Mass	417.32428
Heavy Atoms	30
Complexity	688.8825

Chemical Identifiers

CAS Number	87407-70-3
SMILES	C[C@H](CNCC(C)(C)O)[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