(2S,3S,5S,6S)-3,5-dimethyl-2,6-bis(oxidanyl)-1-phenylmethoxy-oct-7-en-4-one

Systemtic Name: (2S,3S,5S,6S)-3,5-dimethyl-2,6-bis(oxidanyl)-1-phenylmethoxy-oct-7-en-4-one Openeye Name: (2S,3S,5S,6S)-1-benzyloxy-2,6-dihydroxy-3,5-dimethyl-oct-7-en-4-one CAS Name: (2S,3S,5S,6S)-2,6-dihydroxy-3,5-dimethyl-1-phenylmethoxy-7-octen-4-one IUPAC Name: (2S,3S,5S,6S)-2,6-dihydroxy-3,5-dimethyl-1-phenylmethoxyoct-7-en-4-one Traditional Name: (2S,3S,5S,6S)-1-benzoxy-2,6-dihydroxy-3,5-dimethyl-oct-7-en-4-one Formula: C17H24O4 MolecularWeight: 292.37006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(COCC1=CC=CC=C1)O)C(=O)C(C)C(C=C)O

Isomeric SMILES

C[C@@H]([C@@H](COCC1=CC=CC=C1)O)C(=O)[C@@H](C)[C@H](C=C)O

InChI

InChI=1S/C17H24O4/c1-4-15(18)12(2)17(20)13(3)16(19)11-21-10-14-8-6-5-7-9-14/h4-9,12-13,15-16,18-19H,1,10-11H2,2-3H3/t12-,13-,15-,16+/m0/s1