Bigelovin

[(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

Also Known As: Bigelovin|Bigelovin?|Linifoline A|3ozj|6-O-acetylmexicanin|TN6735|[(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate|Benzoic acid,5-(dimethylamino)-2-(2-quinolinylazo)|(3aR,4S,4aR,7aR,8R,9aS)-4-(Acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione|(3ar,4s,4ar,7ar,8r,9as)-4a,8-Dimethyl-3-Methylidene-2,5-Dioxo-2,3,3a,4,4a,5,7a,8,9,9a-Decahydroazuleno[6,5-B]furan-4-Yl Acetate|(3AR,4S,4AR,7AR,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENE-2,5-DIOXO-2H,3H,3AH,4H,4AH,5H,7AH,8H,9H,9AH-AZULENO[6,5-B]FURAN-4-YL ACETATE|6alpha,8alpha-dihydroxy-4-oxo-ambrosa-2,11(13)-dien-12-oic acid-12,8-lactone acetate|Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate|((3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno(6,5-b)furan-9-yl) acetate|(3aR)-4alpha-Acetoxy-4abeta,8alpha-dimethyl-3-methylene-3,3a,4,4a,7aalpha,8,9,9abeta-octahydroazuleno[6,5-b]furan-2,5-dione

Molecular Formula	C17H20O5
Molecular Weight	304.13107 g/mol
LogP	1.8171
Topological Polar Surface Area	69.67 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	304.13107
Monoisotopic Mass	304.13107
Heavy Atoms	22
Complexity	604.17053

Chemical Identifiers

CAS Number	3668-14-2
SMILES	C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2