(4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) benzoate

Systemtic Name: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) benzoate Openeye Name: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) benzoate CAS Name: benzoic acid (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) ester IUPAC Name: (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) benzoate Traditional Name: benzoic acid (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) ester Formula: C37H54O2 MolecularWeight: 530.82346

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)OC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)OC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C37H54O2/c1-24-16-19-34(5)22-23-36(7)27(31(34)25(24)2)14-15-29-35(6)20-18-30(39-32(38)26-12-10-9-11-13-26)33(3,4)28(35)17-21-37(29,36)8/h9-13,16,25,27-31H,14-15,17-23H2,1-8H3