[(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(9-methoxy-9-oxidanylidene-nonoxy)-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-2-phenyl-7,8-bis(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(9-methoxy-9-oxidanylidene-nonoxy)-4,5-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-6-(9-methoxy-9-oxo-nonoxy)tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-6-(9-methoxy-9-oxononoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-6-(9-methoxy-9-oxononoxy)oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-3-[[(4aR,6S,7R,8S,8aS)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-6-(9-keto-9-methoxy-nonoxy)tetrahydropyran-2-yl]methyl ester Formula: C64H64O18 MolecularWeight: 1121.18216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCOC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

COC(=O)CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C64H64O18/c1-71-50(65)38-24-4-2-3-5-25-39-72-63-55(79-60(69)45-32-18-9-19-33-45)53(77-58(67)43-28-14-7-15-29-43)52(48(75-63)40-73-57(66)42-26-12-6-13-27-42)82-64-56(80-61(70)46-34-20-10-21-35-46)54(78-59(68)44-30-16-8-17-31-44)51-49(76-64)41-74-62(81-51)47-36-22-11-23-37-47/h6-23,26-37,48-49,51-56,62-64H,2-5,24-25,38-41H2,1H3/t48-,49-,51+,52-,53+,54+,55-,56-,62?,63+,64+/m1/s1