Isocarbacyclin methyl ester

Molecular Formula: C₂₂H₃₆O₄

InChI: InChI=1/C22H36O4/c1-3-4-5-9-18(23)11-12-19-20-14-16(13-17(20)15-21(19)24)8-6-7-10-22(25)26-2/h11-13,17-21,23-24H,3-10,14-15H2,1-2H3/b12-11+/t17-,18-,19+,20-,21+/m0/s1

InChIKey: InChIKey=QIGRQPVOWVHYBT-KABTVRTIBG
SMILES: CCCCCC(C=CC1C(CC2C1CC(=C2)CCCCC(=O)OC)O)O

Names:
    Clinprost [INN]
    Clinprost
    Isocarbacyclin methyl ester
    methyl 5-[(3aS,5R,6S,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
    Tei 9090
    Ttc 909
    (+)-Methyl-(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((E)-(3S)-3-hydroxy-1-octenyl)-2-pentalenevalerate
    2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-, methyl ester, (3aS-(3a-alpha,5-beta,6-alpha(1E,3R*),6a-alpha))-
    88931-51-5

Registries:
    PubChem CID 6436040
    PubChem ID 207696