Isoalloalantolactone

(3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one

Also Known As: Isoalloalantolactone|(+)-Isoalloalantolactone|Isoalloalantolactone - Inula helenium (elecampane)|(3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one|(3aR,4aS,8aR,9aR)-5,8a-Dimethyl-3-methylene-3a,4,4a,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one|5,8a-Dimethyl-3-methylidene-3a,4,4a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one|(3aR)-3aalpha,4,4aalpha,7,8,8a,9,9aalpha-Octahydro-5,8abeta-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one|(3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one|(3AR,4AR,8AR,9AR)-5,8A-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,4AH,7H,8H,8AH,9H,9AH-NAPHTHO[2,3-B]FURAN-2-ONE|(3aR,4aR,8aR,9aR)-5,8a-Dimethyl-3-methylidene-3a,4,4a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one|(3aR,4aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo(f)(1)benzofuran-2-one

Molecular Formula	C15H20O2
Molecular Weight	232.14633 g/mol
LogP	3.2
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	232.14633
Monoisotopic Mass	232.14633
Heavy Atoms	17
Complexity	421.0

Chemical Identifiers

CAS Number	64395-76-2
SMILES	CC1=CCC[C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C
InChIKey	PQRAHHQIYITFCT-QVHKTLOISA-N