methyl 4-[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybenzoate

Systemtic Name: methyl 4-[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybenzoate Openeye Name: methyl 4-[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-6,7-dibenzyloxy-5-(benzyloxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxybenzoate CAS Name: 4-[[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 4-[(2R,3S,4S,5R,6R)-3-[[(3aS,5R,6R,7S,7aS)-6,7-dibenzoxy-5-(benzoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxybenzoic acid methyl ester Formula: C64H66O14 MolecularWeight: 1059.20044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(C(OC2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC6C(C(C(OC6OC7=CC=C(C=C7)C(=O)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

Isomeric SMILES

CC1(O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@H]6[C@H]([C@@H]([C@H](O[C@@H]6OC7=CC=C(C=C7)C(=O)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

InChI

InChI=1S/C64H66O14/c1-64(77-60-58(72-42-50-31-19-8-20-32-50)56(70-40-48-27-15-6-16-28-48)54(75-63(60)78-64)44-68-38-46-23-11-4-12-24-46)76-59-57(71-41-49-29-17-7-18-30-49)55(69-39-47-25-13-5-14-26-47)53(43-67-37-45-21-9-3-10-22-45)74-62(59)73-52-35-33-51(34-36-52)61(65)66-2/h3-36,53-60,62-63H,37-44H2,1-2H3/t53-,54-,55-,56-,57+,58+,59+,60+,62+,63+,64?/m1/s1