Analyte Name

Pro-Calcitriol PTAD Adduct

CAS Number

137342-95-1

Molecular Formula

C35 H49 N3 O5

Molecular Weight

591.781

Accurate Mass

591.367

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@]1(C)CCC3[C@@]4(C)[C@@H](O)C[C@H](O)C[C@]45C=C[C@]23N6N5C(=O)N(C6=O)c7ccccc7

InChI

InChI=1S/C35H49N3O5/c1-22(10-9-16-31(2,3)43)25-13-14-26-32(25,4)17-15-27-33(5)28(40)20-24(39)21-34(33)18-19-35(26,27)38-30(42)36(29(41)37(34)38)23-11-7-6-8-12-23/h6-8,11-12,18-19,22,24-28,39-40,43H,9-10,13-17,20-21H2,1-5H3/t22-,24+,25-,26-,27?,28+,32-,33+,34-,35+/m1/s1

IUPAC

(1S,2R,5R,6R,10R,11S,13R,15S)-11,13-dihydroxy-5-[(2R)-6-hydroxy-6-methylheptan-2-yl]-6,10-dimethyl-18-phenyl-16,18,20-triazahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docos-21-ene-17,19-dione

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat