[(2R,4aR,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,4aR,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,4aR,7R,8R,8aS)-7-(1,3-dioxoisoindolin-2-yl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,4aR,7R,8R,8aS)-7-(1,3-dioxo-2-isoindolyl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2R,4aR,7R,8R,8aS)-7-(1,3-dioxoisoindol-2-yl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,4aR,7R,8R,8aS)-6-hydroxy-2-phenyl-7-phthalimido-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C26H25NO9 MolecularWeight: 495.478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)O)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)OC([C@@H]1N4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H25NO9/c1-14(28)11-12-19(29)35-22-20(27-23(30)16-9-5-6-10-17(16)24(27)31)25(32)34-18-13-33-26(36-21(18)22)15-7-3-2-4-8-15/h2-10,18,20-22,25-26,32H,11-13H2,1H3/t18-,20-,21-,22-,25?,26-/m1/s1