Analyte Name

Treprostinil 3-Ethyl

Molecular Formula

C25 H38 O5

Molecular Weight

418.566

Accurate Mass

418.272

SMILES

CCCCC[C@H](O)CC[C@H]1[C@H](O)C(CC)[C@@H]2Cc3c(C[C@H]12)cccc3OCC(=O)O

InChI

InChI=1S/C25H38O5/c1-3-5-6-9-17(26)11-12-19-21-13-16-8-7-10-23(30-15-24(27)28)20(16)14-22(21)18(4-2)25(19)29/h7-8,10,17-19,21-22,25-26,29H,3-6,9,11-15H2,1-2H3,(H,27,28)/t17-,18?,19+,21+,22-,25+/m0/s1

IUPAC

2-[[(1R,2R,3aR,9aS)-3-ethyl-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-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