Analyte Name

22-Carboxy Vitamin D3

CAS Number

99518-38-4

Molecular Formula

C22 H32 O3

Molecular Weight

344.488

Accurate Mass

344.235

SMILES

C[C@@H]([C@@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C)C(=O)O

InChI

InChI=1S/C22H32O3/c1-14-6-9-18(23)13-17(14)8-7-16-5-4-12-22(3)19(10-11-20(16)22)15(2)21(24)25/h7-8,15,18-20,23H,1,4-6,9-13H2,2-3H3,(H,24,25)/b16-7+,17-8-/t15-,18-,19-,20-,22+/m0/s1

IUPAC

(2S)-2-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat