[4-[(5R,5aR,8aR)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] (Z)-docos-13-enoate

Systemtic Name: [4-[(5R,5aR,8aR)-6-oxidanylidene-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] (Z)-docos-13-enoate Openeye Name: [4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [4-[(5R,5aR,8aR)-6-keto-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] ester Formula: C43H60O8 MolecularWeight: 704.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O)OC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O)OC

InChI

InChI=1S/C43H60O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(44)51-42-37(46-2)26-32(27-38(42)47-3)40-34-28-36-35(49-30-50-36)25-31(34)24-33-29-48-43(45)41(33)40/h11-12,25-28,33,40-41H,4-10,13-24,29-30H2,1-3H3/b12-11-/t33-,40+,41-/m0/s1