[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(1R)-2-oxidanyl-1-(phenylcarbonyloxy)ethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate

Systemtic Name: [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(1R)-2-oxidanyl-1-(phenylcarbonyloxy)ethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Openeye Name: [(3aR,5R,6S,6aR)-5-[(1R)-1-benzoyloxy-2-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate CAS Name: benzoic acid [(3aR,5R,6S,6aR)-5-[(1R)-1-benzoyloxy-2-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5R,6S,6aR)-5-[(1R)-1-benzoyloxy-2-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Traditional Name: benzoic acid [(3aR,5R,6S,6aR)-5-[(1R)-1-benzoyloxy-2-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C23H24O8 MolecularWeight: 428.43186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C(CO)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H24O8/c1-23(2)30-19-18(28-21(26)15-11-7-4-8-12-15)17(29-22(19)31-23)16(13-24)27-20(25)14-9-5-3-6-10-14/h3-12,16-19,22,24H,13H2,1-2H3/t16-,17-,18+,19-,22-/m1/s1