methyl 8-[(3R)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoate

Systemtic Name: methyl 8-[(3R)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoate Openeye Name: methyl 8-[(3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]octanoate CAS Name: 8-[(3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]octanoate Traditional Name: 8-[(3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]caprylic acid methyl ester Formula: C23H40O5 MolecularWeight: 396.5607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCCC(=O)OC)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1[C@@H](CC(=O)C1CCCCCCCC(=O)OC)O)O

InChI

InChI=1S/C23H40O5/c1-4-5-15-23(2,27)16-11-13-19-18(20(24)17-21(19)25)12-9-7-6-8-10-14-22(26)28-3/h11,13,18-19,21,25,27H,4-10,12,14-17H2,1-3H3/b13-11+/t18?,19?,21-,23?/m1/s1