tritert-butyl (1R,3S,4S,5S,6R,7R)-6-butanoyloxy-7-(2-methoxypropan-2-yloxy)-1-(5-methyl-6-phenyl-hexyl)-4-oxidanyl-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-6-butanoyloxy-7-(2-methoxypropan-2-yloxy)-1-(5-methyl-6-phenyl-hexyl)-4-oxidanyl-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-6-butanoyloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-(5-methyl-6-phenyl-hexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1R,3S,4S,5S,6R,7R)-4-hydroxy-7-(2-methoxypropan-2-yloxy)-1-(5-methyl-6-phenylhexyl)-6-(1-oxobutoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-6-butanoyloxy-4-hydroxy-7-(2-methoxypropan-2-yloxy)-1-(5-methyl-6-phenylhexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1R,3S,4S,5S,6R,7R)-6-butyryloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-1-(5-methyl-6-phenyl-hexyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C42H66O13 MolecularWeight: 778.96564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCCCC(C)CC3=CC=CC=C3)OC(C)(C)OC

Isomeric SMILES

CCCC(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCCCC(C)CC3=CC=CC=C3)OC(C)(C)OC

InChI

InChI=1S/C42H66O13/c1-15-21-29(43)49-31-30(50-39(12,13)48-14)40(25-20-19-22-27(2)26-28-23-17-16-18-24-28)51-32(33(44)52-36(3,4)5)41(47,34(45)53-37(6,7)8)42(31,55-40)35(46)54-38(9,10)11/h16-18,23-24,27,30-32,47H,15,19-22,25-26H2,1-14H3/t27?,30-,31-,32-,40-,41-,42-/m1/s1