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

Systemtic Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-hexadecanoyloxy-7-(2-methoxypropan-2-yloxy)-4-oxidanyl-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-hexadecanoyloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl)-4-hydroxy-7-(2-methoxypropan-2-yloxy)-6-(1-oxohexadecoxy)-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)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-hexadecanoyloxy-4-hydroxy-7-(2-methoxypropan-2-yloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1R,3S,4S,5S,6R,7R)-1-[3-(1-acetoxy-2-methyl-3-phenyl-propyl)but-3-enyl]-6-hexadecanoyloxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C57H92O15 MolecularWeight: 1017.33138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=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)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=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)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

InChI

InChI=1S/C57H92O15/c1-17-18-19-20-21-22-23-24-25-26-27-28-32-35-43(59)66-46-45(67-54(14,15)64-16)55(37-36-39(2)44(65-41(4)58)40(3)38-42-33-30-29-31-34-42)68-47(48(60)69-51(5,6)7)56(63,49(61)70-52(8,9)10)57(46,72-55)50(62)71-53(11,12)13/h29-31,33-34,40,44-47,63H,2,17-28,32,35-38H2,1,3-16H3/t40?,44?,45-,46-,47-,55-,56-,57-/m1/s1