methyl (3R,4S,5R)-4-octadecanoyloxy-3,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-4-octadecanoyloxy-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-octadecanoyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-3,5-dihydroxy-4-(1-oxooctadecoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-octadecanoyloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3,5-dihydroxy-4-stearoyloxy-cyclohexene-1-carboxylic acid methyl ester Formula: C26H46O6 MolecularWeight: 454.63984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(CC(=CC1O)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](CC(=C[C@H]1O)C(=O)OC)O

InChI

InChI=1S/C26H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)32-25-22(27)19-21(20-23(25)28)26(30)31-2/h19,22-23,25,27-28H,3-18,20H2,1-2H3/t22-,23-,25-/m1/s1