Analyte Name

26,27-Didesmethyl-1,3-(tert-butyldimethylsilyl) (5Z)-Calcitriol 24-Carboxylic Acid Methyl Ester

CAS Number

145372-43-6

Molecular Formula

C38 H68 O4 Si2

Molecular Weight

645.115

Accurate Mass

644.466

SMILES

COC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C3=C)O[Si](C)(C)C(C)(C)C)\CCC[C@]12C

InChI

InChI=1S/C38H68O4Si2/c1-27(17-15-19-35(39)40-10)32-22-23-33-29(18-16-24-38(32,33)9)20-21-30-25-31(41-43(11,12)36(3,4)5)26-34(28(30)2)42-44(13,14)37(6,7)8/h20-21,27,31-34H,2,15-19,22-26H2,1,3-14H3/b29-20+,30-21-/t27-,31-,32-,33+,34+,38-/m1/s1

IUPAC

methyl (5R)-5-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat