tritert-butyl (1R,3S,4S,5S,6R,7R)-6-butanoyloxy-7-(2-methoxypropan-2-yloxy)-1-(4-naphthalen-1-ylbutyl)-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-(4-naphthalen-1-ylbutyl)-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-[4-(1-naphthyl)butyl]-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-[4-(1-naphthalenyl)butyl]-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-(4-naphthalen-1-ylbutyl)-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-[4-(1-naphthyl)butyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C43H62O13 MolecularWeight: 786.94458

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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)CCCCC3=CC=CC4=CC=CC=C43)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)CCCCC3=CC=CC4=CC=CC=C43)OC(C)(C)OC

InChI

InChI=1S/C43H62O13/c1-14-20-30(44)50-32-31(51-40(11,12)49-13)41(26-18-17-22-28-24-19-23-27-21-15-16-25-29(27)28)52-33(34(45)53-37(2,3)4)42(48,35(46)54-38(5,6)7)43(32,56-41)36(47)55-39(8,9)10/h15-16,19,21,23-25,31-33,48H,14,17-18,20,22,26H2,1-13H3/t31-,32-,33-,41-,42-,43-/m1/s1