16-[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-phenoxy]-16-oxidanylidene-hexadecanoic acid

Systemtic Name: 16-[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-phenoxy]-16-oxidanylidene-hexadecanoic acid Openeye Name: 16-[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenoxy]-16-oxo-hexadecanoic acid CAS Name: 16-[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenoxy]-16-oxohexadecanoic acid IUPAC Name: 16-[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenoxy]-16-oxohexadecanoic acid Traditional Name: 16-[4-[(5R,5aR,8aR)-6-keto-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenoxy]-16-keto-palmitic acid Formula: C37H48O10 MolecularWeight: 652.77102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)CCCCCCCCCCCCCCC(=O)O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)CCCCCCCCCCCCCCC(=O)O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O

InChI

InChI=1S/C37H48O10/c1-42-30-19-25(34-27-21-29-28(45-23-46-29)18-24(27)17-26-22-44-37(41)35(26)34)20-31(43-2)36(30)47-33(40)16-14-12-10-8-6-4-3-5-7-9-11-13-15-32(38)39/h18-21,26,34-35H,3-17,22-23H2,1-2H3,(H,38,39)/t26-,34+,35-/m0/s1