CAS 1294517-97-7 Tacalcitol impurity A - Analytical Products / Alfa Chemistry

CAT	APS1294517977
CAS	1294517-97-7
Synonyms	(1R,3S,5E)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol, Tacalcitol Impurity A,1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5E)-, (5E,7E)-(24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol, trans-Tacalcitol
IUPAC Name	(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Weight	416.64
Molecular Formula	C27H44O3
Canonical SMILES	CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C\3/C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
InChI	InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10+/t18-,22-,23-,24+,25-,26+,27-/m1/s1

Accurate Mass	416.329
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
Product Type	Impurity
Shipping	Ice pack (-20°C)
Storage Conditions	-20°C
Subcategory	European Pharmacopoeia (Ph. Eur.)