Analyte Name

Treprostinil O Dimer

Molecular Formula

C46 H66 O9

Molecular Weight

763.011

Accurate Mass

762.471

SMILES

CCCCC[C@@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3ccc(OCC(=O)O[C@@H](CCCCC)CC[C@H]4[C@H](O)C[C@@H]5Cc6c(C[C@H]45)cccc6OCC(=O)O)cc3C[C@H]12

InChI

InChI=1S/C46H66O9/c1-3-5-7-11-34(47)15-18-37-40-23-31-21-36(16-14-29(31)20-32(40)25-42(37)48)53-28-46(52)55-35(12-8-6-4-2)17-19-38-39-22-30-10-9-13-44(54-27-45(50)51)41(30)24-33(39)26-43(38)49/h9-10,13-14,16,21,32-35,37-40,42-43,47-49H,3-8,11-12,15,17-20,22-28H2,1-2H3,(H,50,51)/t32-,33-,34+,35-,37+,38+,39-,40-,42+,43+/m0/s1

IUPAC

2-[[(1R,2R,3aS,9aS)-1-[(3S)-3-[2-[[(2R,3R,3aS,9aS)-2-hydroxy-3-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-6-yl]oxy]acetyl]oxyoctyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat