[(2R,3S,4R)-1,3,4-tris[(4-methoxyphenyl)methoxy]-5-oxidanyl-pentan-2-yl] (2E,4R,5R,6E,8E,10S,11R)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyl-5-oxidanyl-icosa-2,6,8-trienoate

Systemtic Name: [(2R,3S,4R)-1,3,4-tris[(4-methoxyphenyl)methoxy]-5-oxidanyl-pentan-2-yl] (2E,4R,5R,6E,8E,10S,11R)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyl-5-oxidanyl-icosa-2,6,8-trienoate Openeye Name: [(1R,2S,3R)-4-hydroxy-2,3-bis[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]butyl] (2E,4R,5R,6E,8E,10S,11R)-5-hydroxy-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyl-icosa-2,6,8-trienoate CAS Name: (2E,4R,5R,6E,8E,10S,11R)-5-hydroxy-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyleicosa-2,6,8-trienoic acid [(2R,3S,4R)-5-hydroxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-yl] ester IUPAC Name: [(2R,3S,4R)-5-hydroxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-yl] (2E,4R,5R,6E,8E,10S,11R)-5-hydroxy-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethylicosa-2,6,8-trienoate Traditional Name: (2E,4R,5R,6E,8E,10S,11R)-5-hydroxy-2,4,6,8,10-pentamethyl-11-p-anisyloxy-eicosa-2,6,8-trienoic acid [(1R,2S,3R)-4-hydroxy-2,3-bis(p-anisyloxy)-1-(p-anisyloxymethyl)butyl] ester Formula: C62H86O12 MolecularWeight: 1023.33904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)C=C(C)C=C(C)C(C(C)C=C(C)C(=O)OC(COCC1=CC=C(C=C1)OC)C(C(CO)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCC[C@H]([C@@H](C)/C=C(\C)/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C(=O)O[C@H](COCC1=CC=C(C=C1)OC)[C@H]([C@@H](CO)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C62H86O12/c1-11-12-13-14-15-16-17-18-57(71-40-50-21-29-54(67-8)30-22-50)45(3)35-44(2)36-46(4)60(64)47(5)37-48(6)62(65)74-59(43-70-39-49-19-27-53(66-7)28-20-49)61(73-42-52-25-33-56(69-10)34-26-52)58(38-63)72-41-51-23-31-55(68-9)32-24-51/h19-37,45,47,57-61,63-64H,11-18,38-43H2,1-10H3/b44-35+,46-36+,48-37+/t45-,47+,57+,58+,59+,60-,61-/m0/s1