methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid methyl ester Formula: C44H76O10 MolecularWeight: 765.06824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(O)(C/C=C/C1C(C(=O)CC1O)CCCCCCC(=O)OC)C.CCCCC(O)(C/C=C/C1C(C(=O)CC1O)CCCCCCC(=O)OC)C

InChI

InChI=1S/2C22H38O5/c2*1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h2*10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b2*12-10+