tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-decoxy-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-decoxy-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-decoxy-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)-6-decoxy-4-hydroxy-7-(2-methoxypropan-2-yloxy)-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-decoxy-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-decoxy-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C51H82O14 MolecularWeight: 919.18838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1C(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

CCCCCCCCCCO[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/C51H82O14/c1-17-18-19-20-21-22-23-27-32-58-40-39(60-48(14,15)57-16)49(31-30-34(2)38(59-36(4)52)35(3)33-37-28-25-24-26-29-37)61-41(42(53)62-45(5,6)7)50(56,43(54)63-46(8,9)10)51(40,65-49)44(55)64-47(11,12)13/h24-26,28-29,35,38-41,56H,2,17-23,27,30-33H2,1,3-16H3/t35?,38?,39-,40-,41-,49-,50-,51-/m1/s1