Analyte Name

(8S,9S,16S)Beraprost Isomer

CAS Number

94132-88-4

Molecular Formula

C24 H30 O5

Molecular Weight

398.492

Accurate Mass

398.209

SMILES

CC#CC[C@H](C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2Oc3c(CCCC(=O)O)cccc3[C@H]12

InChI

InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1

IUPAC

4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid

Country of Origin

CANADA

Product Type

API

Product Format

Neat