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

Systemtic Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-5-methyl-6-phenyl-4-phenylmethoxy-hexyl]-4,6,7-tris(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-benzyloxy-5-methyl-6-phenyl-hexyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1S,3S,4S,5R,6R,7R)-4,6,7-trihydroxy-1-[(4R,5R)-5-methyl-6-phenyl-4-phenylmethoxyhexyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1S,3S,4S,5R,6R,7R)-4,6,7-trihydroxy-1-[(4R,5R)-5-methyl-6-phenyl-4-phenylmethoxyhexyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-benzoxy-5-methyl-6-phenyl-hexyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C41H58O12 MolecularWeight: 742.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCCC23C(C(C(O2)(C(C(O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)O)O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[C@@H](CCC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H58O12/c1-26(24-27-18-13-11-14-19-27)29(48-25-28-20-15-12-16-21-28)22-17-23-39-30(42)31(43)41(53-39,35(46)52-38(8,9)10)40(47,34(45)51-37(5,6)7)32(49-39)33(44)50-36(2,3)4/h11-16,18-21,26,29-32,42-43,47H,17,22-25H2,1-10H3/t26-,29-,30-,31-,32-,39+,40-,41+/m1/s1