[(3aR,4S,5R,6S,7R,7aR)-2,2-dimethyl-5,6-bis(oxidanyl)-7-(phenylcarbonyloxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate

Systemtic Name: [(3aR,4S,5R,6S,7R,7aR)-2,2-dimethyl-5,6-bis(oxidanyl)-7-(phenylcarbonyloxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Openeye Name: [(3aR,4S,5R,6S,7R,7aR)-7-benzoyloxy-5,6-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate CAS Name: benzoic acid [(3aR,4S,5R,6S,7R,7aR)-7-benzoyloxy-5,6-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aR,4S,5R,6S,7R,7aR)-7-benzoyloxy-5,6-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Traditional Name: benzoic acid [(3aR,4S,5R,6S,7R,7aR)-7-benzoyloxy-5,6-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester Formula: C23H24O8 MolecularWeight: 428.43186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(C(C(C2OC(=O)C3=CC=CC=C3)O)O)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24O8/c1-23(2)30-19-17(28-21(26)13-9-5-3-6-10-13)15(24)16(25)18(20(19)31-23)29-22(27)14-11-7-4-8-12-14/h3-12,15-20,24-25H,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1