pre-Alfacalcidol PTAD Adduct
Product Code
TRC-A524010-50MG
Product Format
Neat
Molecular Formula
C35 H49 N3 O4
Molecular Weight
575.781
Product Categories
Product Information
Chemical Data
Analyte Name
pre-Alfacalcidol PTAD Adduct
Molecular Formula
C35 H49 N3 O4
Molecular Weight
575.781
Accurate Mass
575.372
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](N4N([C@@H]3CC[C@]12C)C(=O)N(C4=O)c5ccccc5)C6=C(C)[C@@H](O)C[C@H](O)C6
InChI
InChI=1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30-,31+,32+,35-/m1/s1
IUPAC
(1R,7S,10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat