PGE1 Dimer

Analyte Name

7-[(1S,2S,3S)-3-hydroxy-4-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoyloxy]-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Molecular Formula

C₄₀H₆₈O₉

Molecular Weight

693.0

Accurate Mass

692.4863

SMILES

O=C(OC(C1)[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1CCCCCCC(O)=O)CCCCCC[C@@H]2[C@H]([C@@H](CC2=O)O)/C=C/[C@@H](O)CCCCC

InChI

InChI=1S/C40H68O9/c1-3-5-11-18-30(41)23-25-32-29(17-13-7-9-15-21-38(45)46)27-37(40(32)48)49-39(47)22-16-10-8-14-20-33-34(36(44)28-35(33)43)26-24-31(42)19-12-6-4-2/h23-26,29-34,36-37,40-42,44,48H,3-22,27-28H2,1-2H3,(H,45,46)/b25-23+,26-24+/t29-,30-,31-,32+,33+,34+,36+,37?,40-/m0/s1

IUPAC

7-[(1S,2S,3S)-3-hydroxy-4-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoyloxy]-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Country of Origin

CANADA

Product Format

Neat