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Santonin

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CAT	APS481061
CAS	481-06-1
Structure
Synonyms	Santonin, (-)-Santonin, (-)-alpha-Santonin, 1,2,3,4,4a,7-Hexahydro-1-hydroxy-alpha,4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid gamma-lactone, (11S)-6alpha-hydroxy-3-oxo-eudesma-1,4-dien-12-oic acid gamma-lactone, NSC 4900,(3S,3aS,5aS,9bS)-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione, [3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione, alpha-Santonin, Semenen
IUPAC Name	(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Molecular Weight	246.30
Molecular Formula	C15H18O3
Canonical SMILES	C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C
InChI	InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

Accurate Mass	246.1256
Format	Neat

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