[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] dodecanoate

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] dodecanoate 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] dodecanoate CAS Name: dodecanoic 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] dodecanoate Traditional Name: lauric 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: C33H42O8 MolecularWeight: 566.68178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C33H42O8/c1-4-5-6-7-8-9-10-11-12-13-29(34)41-32-27(36-2)16-22(17-28(32)37-3)30-24-18-26-25(39-20-40-26)15-21(24)14-23-19-38-33(35)31(23)30/h15-18,23,30-31H,4-14,19-20H2,1-3H3/t23-,30+,31-/m0/s1