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Calcitriol EP Impurity C

SZ CAT No SZ-C120004
CAS No 86307-44-0
Mol.F. C35H49N3O5
Mol.Wt. 591.8
Inv. Status Custom Synthesis


Chemical Name: (4aR,6aR,7R,9aR,11S)-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

Synonym: Triazoline adduct of pre- calcitriol

Smiles: O=C(N1C2=CC=CC=C2)N([C@H](C(C[C@@H](O)C[C@@H]3O)=C3C)C=C4[C@@]5([H])CC[C@@]6(C)[C@@]4([H])CC[C@]6([H])[C@H](C)CCCC(C)(O)C)N5C1=O

Inchi: InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-8,12-14,17,22H,19H2,1H3,(H,20,23)(H,25,26)/b3-2-/t12-,13-,14?,17-/m1/s1