[(1R,2R,3R,4S,5R)-4-acetyloxy-2-butyl-3-methoxy-5-methyl-5-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1R,2R,3R,4S,5R)-4-acetyloxy-2-butyl-3-methoxy-5-methyl-5-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1R,2R,3R,4S,5R)-4-acetoxy-2-butyl-5-hydroxy-3-methoxy-5-methyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,2R,3R,4S,5R)-4-acetyloxy-2-butyl-5-hydroxy-3-methoxy-5-methylcyclohexyl] ester IUPAC Name: [(1R,2R,3R,4S,5R)-4-acetyloxy-2-butyl-5-hydroxy-3-methoxy-5-methylcyclohexyl] acetate Traditional Name: acetic acid [(1R,2R,3R,4S,5R)-4-acetoxy-2-butyl-5-hydroxy-3-methoxy-5-methyl-cyclohexyl] ester Formula: C16H28O6 MolecularWeight: 316.38992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(C(C1OC)OC(=O)C)(C)O)OC(=O)C

Isomeric SMILES

CCCC[C@@H]1[C@@H](C[C@@]([C@H]([C@@H]1OC)OC(=O)C)(C)O)OC(=O)C

InChI

InChI=1S/C16H28O6/c1-6-7-8-12-13(21-10(2)17)9-16(4,19)15(14(12)20-5)22-11(3)18/h12-15,19H,6-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1