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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/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