Anthemidin

(3S,3aR,4aS,8aS,9aR)-3,5,8a-trimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

Also Known As: Anthemidin|Chrysophanol dimethyl ether|Naphtho(2,3-b)furan-2(3H)-one, 3a,4,4a,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-|(3S,3aR,4aS,8aS,9aR)-3,5,8a-trimethyl-3,3a,4,4a,9,9a-hexahydrobenzo[f][1]benzofuran-2-one|(3S,3aR,4aS,8aS,9aR)-3,5,8a-trimethyl-3,3a,4,4a,9,9a-hexahydrobenzo(f)(1)benzofuran-2-one|(3S,3aR,4aS,8aS,9aR)-3,5,8a-Trimethyl-3a,4,4a,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(3H)-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	71013-34-8
SMILES	C[C@H]1[C@H]2C[C@H]3C(=CC=C[C@@]3(C[C@H]2OC1=O)C)C
InChIKey	BMCOUTUQAWFTFQ-GGAZOKNXSA-N