3-[[5-butanoyl-3,3-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]-2-oxidanyl-6-propyl-pyran-4-one

Systemtic Name: 3-[[5-butanoyl-3,3-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]-2-oxidanyl-6-propyl-pyran-4-one Openeye Name: 3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]-2-hydroxy-6-propyl-pyran-4-one CAS Name: 3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2-hydroxy-6-propyl-4-pyranone IUPAC Name: 3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2-hydroxy-6-propylpyran-4-one Traditional Name: 3-[(5-butyryl-2,6-dihydroxy-4-keto-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)methyl]-2-hydroxy-6-propyl-pyran-4-one Formula: C21H26O7 MolecularWeight: 390.42694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C(=C(O1)O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O

Isomeric SMILES

CCCC1=CC(=O)C(=C(O1)O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O

InChI

InChI=1S/C21H26O7/c1-5-7-11-9-15(23)12(20(27)28-11)10-13-17(24)16(14(22)8-6-2)19(26)21(3,4)18(13)25/h9,24-25,27H,5-8,10H2,1-4H3