[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(4-methoxyphenoxy)oxan-4-yl]oxy-4,5-bis[(4-methylphenyl)carbonyloxy]-2-(4-oxidanylidenepentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-(4-methoxyphenoxy)oxan-4-yl]oxy-4,5-bis[(4-methylphenyl)carbonyloxy]-2-(4-oxidanylidenepentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-3-acetoxy-2-(acetoxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-(4-methoxyphenoxy)tetrahydropyran-4-yl]oxy-4,5-bis[(4-methylbenzoyl)oxy]-2-(4-oxopentanoyloxymethyl)tetrahydropyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-(1,3-dioxo-2-isoindolyl)-6-(4-methoxyphenoxy)-4-oxanyl]oxy]-2-(1,4-dioxopentoxymethyl)-4,5-bis[(4-methylphenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-3-acetyloxy-2-(acetyloxymethyl)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)oxan-4-yl]oxy-4,5-bis[(4-methylbenzoyl)oxy]-2-(4-oxopentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-3-acetoxy-2-(acetoxymethyl)-6-(4-methoxyphenoxy)-5-phthalimido-tetrahydropyran-4-yl]oxy-2-(4-ketopentanoyloxymethyl)-4,5-bis(p-toluoyloxy)tetrahydropyran-3-yl] ester Formula: C60H59NO20 MolecularWeight: 1114.10516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC5C(C(OC(C5OC(=O)C)COC(=O)C)OC6=CC=C(C=C6)OC)N7C(=O)C8=CC=CC=C8C7=O)COC(=O)CCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC(=O)C)COC(=O)C)OC6=CC=C(C=C6)OC)N7C(=O)C8=CC=CC=C8C7=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C60H59NO20/c1-32-12-19-38(20-13-32)56(68)78-50-46(31-73-47(65)29-18-35(4)62)77-60(53(80-58(70)40-23-16-34(3)17-24-40)52(50)79-57(69)39-21-14-33(2)15-22-39)81-51-48(61-54(66)43-10-8-9-11-44(43)55(61)67)59(75-42-27-25-41(71-7)26-28-42)76-45(30-72-36(5)63)49(51)74-37(6)64/h8-17,19-28,45-46,48-53,59-60H,18,29-31H2,1-7H3/t45-,46-,48-,49+,50-,51-,52+,53-,59-,60+/m1/s1