[(2R,4aR,6S,7R,8S,8aR)-7-henicosa-8,10-diynoyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] henicosa-8,10-diynoate

Systemtic Name: [(2R,4aR,6S,7R,8S,8aR)-7-henicosa-8,10-diynoyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] henicosa-8,10-diynoate Openeye Name: [(2R,4aR,6S,7R,8S,8aR)-7-henicosa-8,10-diynoyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] henicosa-8,10-diynoate CAS Name: heneicosa-8,10-diynoic acid [(2R,4aR,6S,7R,8S,8aR)-6-methoxy-7-(1-oxoheneicosa-8,10-diynoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2R,4aR,6S,7R,8S,8aR)-7-henicosa-8,10-diynoyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] henicosa-8,10-diynoate Traditional Name: heneicosa-8,10-diynoic acid [(2R,4aR,6S,7R,8S,8aR)-7-heneicosa-8,10-diynoyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C56H82O8 MolecularWeight: 883.24548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCC(=O)OC1C2C(COC(O2)C3=CC=CC=C3)OC(C1OC(=O)CCCCCCC#CC#CCCCCCCCCCC)OC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]([C@@H]1OC(=O)CCCCCCC#CC#CCCCCCCCCCC)OC

InChI

InChI=1S/C56H82O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41-45-50(57)62-53-52-49(47-60-55(64-52)48-43-39-38-40-44-48)61-56(59-3)54(53)63-51(58)46-42-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-40,43-44,49,52-56H,4-21,30-37,41-42,45-47H2,1-3H3/t49-,52-,53+,54-,55-,56+/m1/s1