[(2S,3S,4R,5R,6R)-5-acetyloxy-2-methyl-6-octoxy-4-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6R)-5-acetyloxy-2-methyl-6-octoxy-4-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6R)-5-acetoxy-4-benzoyloxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6R)-5-acetyloxy-4-benzoyloxy-2-methyl-6-octoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-5-acetyloxy-4-benzoyloxy-2-methyl-6-octoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6R)-5-acetoxy-4-benzoyloxy-2-methyl-6-octoxy-tetrahydropyran-3-yl] ester Formula: C30H38O8 MolecularWeight: 526.61792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C30H38O8/c1-4-5-6-7-8-15-20-34-30-27(36-22(3)31)26(38-29(33)24-18-13-10-14-19-24)25(21(2)35-30)37-28(32)23-16-11-9-12-17-23/h9-14,16-19,21,25-27,30H,4-8,15,20H2,1-3H3/t21-,25-,26+,27+,30+/m0/s1