methyl (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H34O6 MolecularWeight: 382.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)OC)O)O)O

Isomeric SMILES

C[C@H](CCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)O)O

InChI

InChI=1S/C21H34O6/c1-15(22)8-7-9-16(23)12-13-18-17(19(24)14-20(18)25)10-5-3-4-6-11-21(26)27-2/h3,5,12-13,15-18,20,22-23,25H,4,6-11,14H2,1-2H3/b5-3-,13-12+/t15-,16+,17-,18-,20-/m1/s1