tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-dodecanoyloxy-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-dodecanoyloxy-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-dodecanoyloxy-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-oxododecoxy)-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-dodecanoyloxy-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]-4-hydroxy-6-lauroyloxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C53H84O15 MolecularWeight: 961.22506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=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

CCCCCCCCCCCC(=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/C53H84O15/c1-17-18-19-20-21-22-23-24-28-31-39(55)62-42-41(63-50(14,15)60-16)51(33-32-35(2)40(61-37(4)54)36(3)34-38-29-26-25-27-30-38)64-43(44(56)65-47(5,6)7)52(59,45(57)66-48(8,9)10)53(42,68-51)46(58)67-49(11,12)13/h25-27,29-30,36,40-43,59H,2,17-24,28,31-34H2,1,3-16H3/t36?,40?,41-,42-,43-,51-,52-,53-/m1/s1