8-epimisoprostol (Q27277930)

Methyl (11beta,12alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate (English)

14 October 2016

chemical formula

C₂₂H₃₈O₅

0 references

canonical SMILES

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O

1 reference

8-epimisoprostol (English)

14 October 2016

isomeric SMILES

CCCCC(C)(C/C=C/[C@@H]1[C@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O

1 reference

8-epimisoprostol (English)

InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18+,20+,22?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

8-epimisoprostol (English)

OJLOPKGSLYJEMD-NXRIWZSXSA-N

14 October 2016

InChIKey

1 reference

8-epimisoprostol (English)

14 October 2016

1 reference

matched by identifier from

Methyl (11beta,12alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate (English)

14 October 2016

2 references

26 December 2021

InChIKey

OJLOPKGSLYJEMD-NXRIWZSXSA-N

1 reference

2 references

8-epimisoprostol (English)