Chemical

CAS: 86307-44-0

(6aR,7R,9aR)-11-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-enyl]-7-[(1R)-5-hydroxy-1,5-dimethylhexyl]-6a-methyl-2-phenyl-5,6,6a,7,8,9,9a,11-octahydro-1H,4aH-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione; (6aR,7R,9aR)-11-((3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-methylheptan-2-yl)-6a-methyl-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione.

Triazoline Adduct of pre-Calcitriol
Formula: C35H49N3O5
Specifications
Key details (from tblproducts)
CAS 86307-44-0
Category Impurity
Molecular formula C35H49N3O5
Molecular weight 591.78
IUPAC (6aR,7R,9aR)-11-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-enyl]-7-[(1R)-5-hydroxy-1,5-dimethylhexyl]-6a-methyl-2-phenyl-5,6,6a,7,8,9,9a,11-octahydro-1H,4aH-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione; (6aR,7R,9aR)-11-((3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-methylheptan-2-yl)-6a-methyl-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione.
Smileys O=C1N(C2=CC=CC=C2)C(N3N1C(C4=C(C)[C@@H](O)C[C@H](O)C4)C=C5[C@@]6([H])[C@]([C@@H]([C@H](C)CCCC(C)(O)C)CC6)(C)CCC35)=O
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