Salvinorin A
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular Identity
Salvinorin A
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
PubChem CID: 128563
Salvinorin A is a natural product found in Salvia divinorum. It has a role as a oneirogen and a metabolite. It is an organic heterotricyclic compound and an organooxygen compound.
2D Structure
Properties
C23H28O8
Molecular Formula
432.50
Molecular Weight
g/mol
432.1784
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
792
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Salvinorin ADivinorin A83729-01-5Salvinorin(-)-Salvinorin AT56W91NG6JDTXSID80232584methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylatemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo(f)isochromene-7-carboxylatemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo(f)isochromene-7-carboxylatemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateRefChem:884499DTXCID101550752H-Naphtho02,1-(c)pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, 02S-(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta)-methyl 9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho(2,1-c)pyran-7-carboxylate
Data from PubChem (NCBI)
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