octadecyl (2R,3S)-7-methoxy-2-(3-methoxy-5-oxidanyl-phenyl)-5-[(E)-3-octadecoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: octadecyl (2R,3S)-7-methoxy-2-(3-methoxy-5-oxidanyl-phenyl)-5-[(E)-3-octadecoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: octadecyl (2R,3S)-2-(3-hydroxy-5-methoxy-phenyl)-7-methoxy-5-[(E)-3-octadecoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[(E)-3-octadecoxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid octadecyl ester IUPAC Name: octadecyl (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[(E)-3-octadecoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2R,3S)-2-(3-hydroxy-5-methoxy-phenyl)-5-[(E)-3-keto-3-stearyloxy-prop-1-enyl]-7-methoxy-coumaran-3-carboxylic acid stearyl ester Formula: C56H90O8 MolecularWeight: 891.309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC2=C(C(=C1)OC)OC(C2C(=O)OCCCCCCCCCCCCCCCCCC)C3=CC(=CC(=C3)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@H]2C(=O)OCCCCCCCCCCCCCCCCCC)C3=CC(=CC(=C3)OC)O

InChI

InChI=1S/C56H90O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-62-52(58)38-37-46-41-50-53(54(64-55(50)51(42-46)61-4)47-43-48(57)45-49(44-47)60-3)56(59)63-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-38,41-45,53-54,57H,5-36,39-40H2,1-4H3/b38-37+/t53-,54-/m0/s1