beta-Santonin

(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Also Known As: beta-Santonin|b-santonin|santonin|.beta.-Santonin||A-santonin|SANTONIN, BETA|(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione|(11R)-6|A-hydroxy-3-oxo-eudesma-1,4-dien-12-oic acid-lactone|(3R)-3abeta,5,5a,9balpha-Tetrahydro-3,5aalpha,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione|(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione|Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R-(3alpha,3abeta,5aalpha,9balpha))-|(3R,3AS,5AS,9BS)-3,5A,9-TRIMETHYL-2H,3H,3AH,4H,5H,5AH,8H,9BH-NAPHTHO[1,2-B]FURAN-2,8-DIONE|(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo(g)(1)benzofuran-2,8-dione|(3R,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8(3H,4H)-dione

Molecular Formula	C15H18O3
Molecular Weight	246.1256 g/mol
LogP	2.3
Topological Polar Surface Area	43.4 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	246.1256
Monoisotopic Mass	246.1256
Heavy Atoms	18
Complexity	500.0

Chemical Identifiers

CAS Number	481-07-2
SMILES	C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
InChIKey	XJHDMGJURBVLLE-OMSPQPPYSA-N