[(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] 9-phenylnona-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] 9-phenylnona-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] 9-phenylnona-4,6-diynoate CAS Name: 9-phenylnona-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] 9-phenylnona-4,6-diynoate Traditional Name: 9-phenylnona-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: C29H30O7 MolecularWeight: 490.5443

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=O)CCC#CC#CCCC4=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#CCCC4=CC=CC=C4

InChI

InChI=1S/C29H30O7/c1-32-29-27(25(31)26-23(34-29)20-33-28(36-26)22-17-11-7-12-18-22)35-24(30)19-13-5-3-2-4-8-14-21-15-9-6-10-16-21/h6-7,9-12,15-18,23,25-29,31H,8,13-14,19-20H2,1H3/t23-,25+,26-,27-,28-,29+/m1/s1