[(1R,2S,5S,6R,8S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate

Systemtic Name: [(1R,2S,5S,6R,8S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate Openeye Name: [(1R,2S,5S,6R,8S)-2-[(1S)-1,2-dihydroxyethyl]-2,5,6-trimethyl-9-methylene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1R,2S,5S,6R,8S)-2-[(1S)-1,2-dihydroxyethyl]-2,5,6-trimethyl-9-methylene-8-bicyclo[3.3.1]nonanyl] ester IUPAC Name: [(1R,2S,5S,6R,8S)-2-[(1S)-1,2-dihydroxyethyl]-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R,2S,5S,6R,8S)-2-[(1S)-1,2-dihydroxyethyl]-2,5,6-trimethyl-9-methylene-8-bicyclo[3.3.1]nonanyl] ester Formula: C23H32O4 MolecularWeight: 372.49778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2C(=C)C1(CCC2(C)C(CO)O)C)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@@H]2C(=C)[C@]1(CC[C@]2(C)[C@@H](CO)O)C)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H32O4/c1-14-6-8-17(9-7-14)21(26)27-18-12-15(2)22(4)10-11-23(5,19(25)13-24)20(18)16(22)3/h6-9,15,18-20,24-25H,3,10-13H2,1-2,4-5H3/t15-,18+,19-,20+,22+,23-/m1/s1