4-oxidanylidene-4-[3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxy-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxy-butanoic acid Openeye Name: 4-oxo-4-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxy-butanoic acid CAS Name: 4-oxo-4-[[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enyl]oxy]butanoic acid IUPAC Name: 4-oxo-4-[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxybutanoic acid Traditional Name: 4-keto-4-[2-keto-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-butyric acid Formula: C44H56O6 MolecularWeight: 680.91184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)CCC(=O)O)C)C)C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)C(CC2(C)C)OC(=O)CCC(=O)O)C)/C)/C

InChI

InChI=1S/C44H56O6/c1-30(17-13-19-32(3)21-23-36-34(5)38(45)27-28-43(36,7)8)15-11-12-16-31(2)18-14-20-33(4)22-24-37-35(6)42(49)39(29-44(37,9)10)50-41(48)26-25-40(46)47/h11-24,39H,25-29H2,1-10H3,(H,46,47)/b12-11+,17-13+,18-14+,23-21+,24-22+,30-15+,31-16-,32-19+,33-20+