Lactucin

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

Also Known As: Lactucin|Lactucine|11beta,13-Dihydrolactucin|LACTUCIN [MI]|VJQAFLAZRVKAKM-VZLIPTOUSA-|HY-N9438|FS-7317|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|(3AR,4S,9AS,9BR)-3,3A,4,5,9A,9B-HEXAHYDRO-4-HYDROXY-9-(HYDROXYMETHYL)-6-METHYL-3-METHYLENEAZULENO(4,5-B)FURAN-2,7-DIONE|(3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione|(3aR)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-4beta-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|(3AR,4S,9AS,9BR)-4-HYDROXY-9-(HYDROXYMETHYL)-6-METHYL-3-METHYLIDENE-2H,3H,3AH,4H,5H,7H,9AH,9BH-AZULENO[4,5-B]FURAN-2,7-DIONE|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione|(3aR,9aS,9bR)-3,3a,4,5,9a,9b-Hexahydro-4beta-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno[4,5-b]furan-2,7-dione|112-288-6|Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aR-(3aalpha,4beta,9aalpha,9bbeta))-|Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, [3aR-(3a.alpha.,4.alpha.,9a.alpha.,9b.beta.)]-

Molecular Formula	C15H16O5
Molecular Weight	276.09976 g/mol
LogP	-0.7
Topological Polar Surface Area	83.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	276.09976
Monoisotopic Mass	276.09976
Heavy Atoms	20
Complexity	583.0

Chemical Identifiers

CAS Number	1891-29-8
SMILES	CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO
InChIKey	VJQAFLAZRVKAKM-VZLIPTOUSA-N