[(1R,2R)-11-methyl-1-(phenylcarbonyloxy)-1,2,3,4-tetrahydrochrysen-2-yl] benzoate

Systemtic Name: [(1R,2R)-11-methyl-1-(phenylcarbonyloxy)-1,2,3,4-tetrahydrochrysen-2-yl] benzoate Openeye Name: [(1R,2R)-1-benzoyloxy-11-methyl-1,2,3,4-tetrahydrochrysen-2-yl] benzoate CAS Name: benzoic acid [(1R,2R)-1-benzoyloxy-11-methyl-1,2,3,4-tetrahydrochrysen-2-yl] ester IUPAC Name: [(1R,2R)-1-benzoyloxy-11-methyl-1,2,3,4-tetrahydrochrysen-2-yl] benzoate Traditional Name: benzoic acid [(1R,2R)-1-benzoyloxy-11-methyl-1,2,3,4-tetrahydrochrysen-2-yl] ester Formula: C33H26O4 MolecularWeight: 486.55714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3CCC(C(C3=C1)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C=CC6=CC=CC=C62

Isomeric SMILES

CC1=C2C(=C3CC[C@H]([C@@H](C3=C1)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C=CC6=CC=CC=C62

InChI

InChI=1S/C33H26O4/c1-21-20-28-26(27-17-16-22-10-8-9-15-25(22)30(21)27)18-19-29(36-32(34)23-11-4-2-5-12-23)31(28)37-33(35)24-13-6-3-7-14-24/h2-17,20,29,31H,18-19H2,1H3/t29-,31-/m1/s1