[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] octadecanoate

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] octadecanoate 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] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic 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: C39H54O8 MolecularWeight: 650.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=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/C39H54O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(40)47-38-33(42-2)22-28(23-34(38)43-3)36-30-24-32-31(45-26-46-32)21-27(30)20-29-25-44-39(41)37(29)36/h21-24,29,36-37H,4-20,25-26H2,1-3H3/t29-,36+,37-/m0/s1