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salvinorin A

Structure via PubChem · Public domain (PubChem)

EntityQ413512· pop 29· linked from 1,503 articles

salvinorin A

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Also known as divinorin A, (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10bdimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate

chemical compound

Chemical data

Formula
C23H28O8
Molecular weight
432.5 g/mol
IUPAC name
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
SMILES
CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
InChIKey
OBSYBRPAKCASQB-AGQYDFLVSA-N
XLogP
2.5
Polar surface area
109 Ų
H-bond donors
0
H-bond acceptors
8
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Phase 1
Molecule type
Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of
salvinorins
Has part
carbon
Mass
432.178418
Show 6 more facts
chemical formula
C₂₃H₂₈O₈
canonical SMILES
CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC
isomeric SMILES
CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
subject has role
hallucinogen
found in taxon
Salvia divinorum
Commons category
Salvinorin A
Sources (2)

via Wikidata · CC0