8-Deoxylactucin

(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

Also Known As: 8-Deoxylactucin|8-Desoxylactucin|8-Deoxy-lactucin|DEOXYLACTUCIN|(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aS-(3aalpha,9aalpha,9bbeta))-|Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aS,9aS,9bS)-|(3aS)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione|(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|(3AS,9AS,9BS)-9-(HYDROXYMETHYL)-6-METHYL-3-METHYLIDENE-2H,3H,3AH,4H,5H,7H,9AH,9BH-AZULENO[4,5-B]FURAN-2,7-DIONE|(3aS,9aS,9bS)-9-(Hydroxymethyl)-6-methyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione|(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione|(3S,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-2,7-dione|3abeta,4,9abeta,9balpha-Tetrahydro-3-methylene-6-methyl-9-(hydroxymethyl)azuleno[4,5-b]furan-2,7(3H,5H)-dione

Molecular Formula	C15H16O4
Molecular Weight	260.10486 g/mol
LogP	0.3
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	260.10486
Monoisotopic Mass	260.10486
Heavy Atoms	19
Complexity	552.0

Chemical Identifiers

CAS Number	65725-10-2
SMILES	CC1=C2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C(=CC2=O)CO
InChIKey	NIYXMGSLECQTQT-BPNCWPANSA-N