[(1S,4R,5Z,7R,8S,9S)-6,10,10-trimethyl-2-methylidene-7,8-bis(oxidanyl)-3-oxidanylidene-4-bicyclo[7.2.0]undec-5-enyl] ethanoate

Systemtic Name: [(1S,4R,5Z,7R,8S,9S)-6,10,10-trimethyl-2-methylidene-7,8-bis(oxidanyl)-3-oxidanylidene-4-bicyclo[7.2.0]undec-5-enyl] ethanoate Openeye Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate CAS Name: acetic acid [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] ester IUPAC Name: [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate Traditional Name: acetic acid [(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-3-keto-6,10,10-trimethyl-2-methylene-4-bicyclo[7.2.0]undec-5-enyl] ester Formula: C17H24O5 MolecularWeight: 308.36946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C(=C)C2CC(C2C(C1O)O)(C)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-14,16,19,21H,2,7H2,1,3-5H3/b8-6-/t11-,12-,13-,14-,16+/m1/s1