(3Beta,5Alpha)5,8-[N,N-(4-Phenylurazole)]-cholest-6,22-diene-3,25-diol-d6

CAS: 156256-69-8

Ref. TR-P338202

Product Information

• Name: (3Beta,5Alpha)5,8-[N,N-(4-Phenylurazole)]-cholest-6,22-diene-3,25-diol-d6
• Synonyms: [4aS-[4aα,6α,8aα,8bβ,10aα,11α(1S*,2E,4R*),13aβ,13bα]]-5,6,7,8,8a,8b,10,10a,11,12,13,13a-Dodecahydro-6-hydroxy-11-(5-hydroxy-1,4,5-trimethyl-2-hexenyl)-8a,10a-dimethyl-2-phenyl-4a,13b-etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione-d6
• Brand: TRC

Description

Applications Intermediate in the preparation of labelled Vitamin D2 (V676040) and its derivatives.

Chemical properties

• Molecular weight: 593.83
• Formula: C₃₆H₄₃D₆N₃O₄
• Color/Form: Neat
• InChI: InChI=1S/C36H49N3O4/c1-23(12-13-24(2)32(3,4)43)27-14-15-28-33(27,5)18-17-29-34(6)19-16-26(40)22-35(34)20-21-36(28,29)39-31(42)37(30(41)38(35)39)25-10-8-7-9-11-25/h7-13,20-21,23-24,26-29,40,43H,14-19,22H2,1-6H3/b13-12+/t23-,24+,26+,27-,28-,29+,33-,34+,35-,36+/m1/s1/i3D3,4D3
• InChI key: InChIKey=ZMZVVWLAFKSMHY-SSPNPANGSA-N
• SMILES: [2H]C([2H])([2H])C(O)([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@@]5(C)[C@@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14)C([2H])([2H])[2H]