pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)

CAS : 86307-44-0

Ref. TR-C144520

Informations sur le produit

• Nom: pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)
• Synonymes: [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-11-(3,5-Dihydroxy-2-methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, Triazoline adduct of Pre-calcitriol

Description

Applications Calcitriol (C144500) impurity. 1α-Hydroxyvitamin D and 1α-hydroxyprevitamin D compounds were prepared in multistep syntheses via hydroxylation of previtamin D compound adducts with dienophiles.
References Vanmaele, L., et al.: Tetrahedron, 41, 141 (1985),

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 591.78
• Formule: C₃₅H₄₉N₃O₅
• Couleur/Forme: White To Off-White
• InChI: InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29-,30+,31+,35-/m1/s1
• Code InChI: InChIKey=AYDPRRXRNSGAGP-ZBKKTSFSSA-N
• SMILES: CC1=C([C@@H]2C=C3[C@@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)(C)O)n3c(=O)n(-c4ccccc4)c(=O)n32)C[C@@H](O)C[C@@H]1O