[(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 4-methoxybenzoate

Systemtic Name: [(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-7-benzyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-dibenzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2R,3R,4S,5S,6S)-6-[[(2R,4aR,6S,7R,8S,8aR)-7-benzoxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-dibenzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl] ester Formula: C56H58O13 MolecularWeight: 939.05192

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)OC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

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[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)OC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C56H58O13/c1-58-44-30-28-42(29-31-44)53(57)67-47-45(36-60-32-38-18-8-3-9-19-38)66-56(51(62-34-40-22-12-5-13-23-40)49(47)61-33-39-20-10-4-11-21-39)69-50-48-46(37-64-54(68-48)43-26-16-7-17-27-43)65-55(59-2)52(50)63-35-41-24-14-6-15-25-41/h3-31,45-52,54-56H,32-37H2,1-2H3/t45-,46-,47-,48-,49+,50+,51+,52-,54-,55+,56+/m1/s1