7-[(1R,2R,3R)-2-[(E)-4-methoxy-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2R,3R)-2-[(E)-4-methoxy-4-methyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methoxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methoxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H38O6 MolecularWeight: 398.53352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O6/c1-4-5-14-22(2,28-3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h12-13,16-17,19-20,24-25H,4-11,14-15H2,1-3H3,(H,26,27)/b13-12+/t16-,17-,19-,20?,22?/m1/s1