(3R,3aR,5S)-3a-methyl-5-phenylmethoxy-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one

Systemtic Name: (3R,3aR,5S)-3a-methyl-5-phenylmethoxy-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one Openeye Name: (3R,3aR,5S)-5-benzyloxy-3-isopropyl-3a-methyl-2,3,4,5,6,7-hexahydroazulen-1-one CAS Name: (3R,3aR,5S)-3a-methyl-5-phenylmethoxy-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one IUPAC Name: (3R,3aR,5S)-3a-methyl-5-phenylmethoxy-3-propan-2-yl-2,3,4,5,6,7-hexahydroazulen-1-one Traditional Name: (3R,3aR,5S)-5-benzoxy-3-isopropyl-3a-methyl-2,3,4,5,6,7-hexahydroazulen-1-one Formula: C21H28O2 MolecularWeight: 312.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)C2=CCCC(CC12C)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1CC(=O)C2=CCC[C@@H](C[C@]12C)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28O2/c1-15(2)19-12-20(22)18-11-7-10-17(13-21(18,19)3)23-14-16-8-5-4-6-9-16/h4-6,8-9,11,15,17,19H,7,10,12-14H2,1-3H3/t17-,19+,21-/m0/s1