Furanopetasin

[(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate

Also Known As: Furanopetasin|Furanopetasine|Genipin|2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-9-hydroxy-3,4a,5-trimethylnaphtho(2,3-b)furan-7-yl ester, (4aR-(4aalpha,5alpha,7alpha(Z),8aalpha,9alpha))-|4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho(2,3-b)furan-7-yl 2-methyl-2-butenoate (4aR-(4aalpha,5alpha,7alpha(Z),8aalpha,9alpha))-|Crotonic acid, 2-methyl-, 4,4a,5,6,7beta,8,8abeta,9-octahydro-9alpha-hydroxy-3,4abeta,5beta-trimethylnaphtho(2,3-b)furan-7-yl ester, (Z)-|2-BUTENOIC ACID, 2-METHYL-, (4AR,5S,7R,8AS,9R)-4,4A,5,6,7,8,8A,9-OCTAHYDRO-9-HYDROXY-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-7-YL ESTER, (2Z)-|(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-7-yl (2Z)-2-methylbut-2-enoate|(Z)-2-Methyl-2-butenoic acid [(4aR)-3,4abeta,5beta-trimethyl-4,4a,5,6,7,8,8abeta,9-octahydro-9beta-hydroxynaphtho[2,3-b]furan]-7beta-yl ester|[(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate|CROTONIC ACID, 2-METHYL-, 4,4A,5,6,7.BETA.,8,8A.BETA.,9-OCTAHYDRO-9.ALPHA.-HYDROXY-3,4A.BETA.,5.BETA.-TRIMETHYLNAPHTHO(2,3-B)FURAN-7-YL ESTER, (Z)-

Molecular Formula	C20H28O4
Molecular Weight	332.19876 g/mol
LogP	4.10792
Topological Polar Surface Area	59.67 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	332.19876
Monoisotopic Mass	332.19876
Heavy Atoms	24
Complexity	671.1788

Chemical Identifiers

CAS Number	6902-62-1
SMILES	C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@]2(CC3=C([C@@H]([C@H]2C1)O)OC=C3C)C)C