[6-[5-acetamido-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate

Systemtic Name: [6-[5-acetamido-6-(9-methoxy-9-oxidanylidene-nonoxy)-4-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Openeye Name: [6-[5-acetamido-2-(benzyloxymethyl)-6-(9-methoxy-9-oxo-nonoxy)-4-(3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate CAS Name: benzoic acid [6-[[5-acetamido-6-(9-methoxy-9-oxononoxy)-4-[[6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [6-[5-acetamido-6-(9-methoxy-9-oxononoxy)-4-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Traditional Name: benzoic acid [6-[5-acetamido-2-(benzoxymethyl)-6-(9-keto-9-methoxy-nonoxy)-4-(3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C79H89NO19 MolecularWeight: 1356.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)COCC8=CC=CC=C8)OCCCCCCCCC(=O)OC)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)COCC8=CC=CC=C8)OCCCCCCCCC(=O)OC)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C79H89NO19/c1-53-66(88-48-56-33-17-9-18-34-56)70(89-49-57-35-19-10-20-36-57)72(90-50-58-37-21-11-22-38-58)78(92-53)99-69-65(80-54(2)81)77(87-46-30-7-5-4-6-29-45-64(82)85-3)93-62(51-86-47-55-31-15-8-16-32-55)67(69)98-79-73(96-75(84)60-41-25-13-26-42-60)71(95-74(83)59-39-23-12-24-40-59)68-63(94-79)52-91-76(97-68)61-43-27-14-28-44-61/h8-28,31-44,53,62-63,65-73,76-79H,4-7,29-30,45-52H2,1-3H3,(H,80,81)