[(1S,2S,5S)-6,6-dimethyl-2-[4-(2-methylhexan-2-yl)-2,6-bis(oxidanyl)phenyl]-4-bicyclo[3.1.1]hept-3-enyl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(1S,2S,5S)-6,6-dimethyl-2-[4-(2-methylhexan-2-yl)-2,6-bis(oxidanyl)phenyl]-4-bicyclo[3.1.1]hept-3-enyl]methyl 2,2-dimethylpropanoate Openeye Name: [(1S,2S,5S)-2-[4-(1,1-dimethylpentyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S,2S,5S)-2-[2,6-dihydroxy-4-(2-methylhexan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl ester IUPAC Name: [(1S,2S,5S)-2-[2,6-dihydroxy-4-(2-methylhexan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,2S,5S)-2-[4-(1,1-dimethylpentyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=C(C(=C1)O)C2C=C(C3CC2C3(C)C)COC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCC(C)(C)C1=CC(=C(C(=C1)O)[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)COC(=O)C(C)(C)C)O

InChI

InChI=1S/C28H42O4/c1-9-10-11-27(5,6)18-13-22(29)24(23(30)14-18)19-12-17(16-32-25(31)26(2,3)4)20-15-21(19)28(20,7)8/h12-14,19-21,29-30H,9-11,15-16H2,1-8H3/t19-,20+,21-/m0/s1