[(2R,4aR,6S,7R,8S,8aS)-6-methoxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 7-phenylhepta-4,6-diynoate

Systemtic Name: [(2R,4aR,6S,7R,8S,8aS)-6-methoxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 7-phenylhepta-4,6-diynoate Openeye Name: [(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 7-phenylhepta-4,6-diynoate CAS Name: 7-phenylhepta-4,6-diynoic acid [(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester IUPAC Name: [(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 7-phenylhepta-4,6-diynoate Traditional Name: 7-phenylhepta-4,6-diynoic acid [(2R,4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] ester Formula: C27H26O7 MolecularWeight: 462.49114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=O)CCC#CC#CC4=CC=CC=C4

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)OC(=O)CCC#CC#CC4=CC=CC=C4

InChI

InChI=1S/C27H26O7/c1-30-27-25(33-22(28)17-11-3-2-6-12-19-13-7-4-8-14-19)23(29)24-21(32-27)18-31-26(34-24)20-15-9-5-10-16-20/h4-5,7-10,13-16,21,23-27,29H,11,17-18H2,1H3/t21-,23+,24-,25-,26-,27+/m1/s1