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Salvinorin A

PubChem CID: 128563

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Compound Synonyms Salvinorin A, Divinorin A, 83729-01-5, Salvinorin, (-)-Salvinorin A, herbal ecstasy, Mexican mint, salvinorin-A, Ska Maria Pastora, T56W91NG6J, HSDB 7640, SALVINORIN A [MI], SALVINORIN A [HSDB], CHEMBL445332, CHEBI:67900, DTXSID80232584, 2H-Naphtho(2,1-c)pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S-(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta))-, 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, 2H-NAPHTHO(2,1-C)PYRAN-7-CARBOXYLIC ACID, 9-(ACETYLOXY)-2-(3-FURANYL)DODECAHYDRO-6A,10B-DIMETHYL-4,10-DIOXO-, METHYL ESTER, (2S,4AR,6AR,7R,9S,10AS,10BR)-, methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate, 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, UNII-T56W91NG6J, Salvonorin A, (2S,4aR,6aR,7R,9S,10aS,10bR)-Methyl 9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate, 2H-naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-, 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, [2S-(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta)]-, 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, 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, methyl 9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho(2,1-c)pyran-7-carboxylate, methyl 9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate, SCHEMBL39147, GTPL1666, DTXCID10155075, OBSYBRPAKCASQB-AGQYDFLVSA-N, GLXC-21002, METHYL (2S,4AR,6AR,7R,9S,10AS,10BR)-9-(ACETYLOXY)-2-(FURAN-3-YL)-6A,10B-DIMETHYL-4,10-DIOXO-DODECAHYDRO-1H-NAPHTHO[2,1-C]PYRAN-7-CARBOXYLATE, BDBM50159165, MFCD05664742, PDSP2_001236, AKOS027325800, CCG-214573, DB12327, NCGC00162442-03, Salvinorin A, >=98% (HPLC), powder, (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(3-furanyl)dodechydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester, 2H-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)-, TS-08323, XS139259, C20196, G91252, Q413512, SR-05000002668, SR-05000002668-1, BRD-K19284129-001-01-8, BRD-K19284129-001-02-6, (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetoxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho, (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho-[2,1-c]pyran-7-carboxylic acid methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(acetylthio)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate, (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate, (2S,4aR,6aR,7R,9S,10aS,10bR)9(Acetyloxy)2(3furanyl)dodechydro6a,10bdimethyl4,10dioxo2Hnaphtho(2,1c)pyran7carboxylic acid methyl ester, (3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester, 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- (9CI), 2HNaphtho(2,1c)pyran7carboxylic acid, 9(acetyloxy)2(3furanyl)dodecahydro6a,10bdimethyl4,10dioxo, methyl ester, (2S(2alpha,4aalpha,6abeta,7beta,9beta,10aalpha,10bbeta)), 2S,4aR,6a(R,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
Topological Polar Surface Area 109.0
Hydrogen Bond Donor Count 0.0
Inchi Key OBSYBRPAKCASQB-AGQYDFLVSA-N
Rotatable Bond Count 5.0
Heavy Atom Count 31.0
Compound Name Salvinorin A
Exact Mass 432.178
Formal Charge 0.0
Monoisotopic Mass 432.178
Isotope Atom Count 0.0
Molecular Complexity 792.0
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 432.5
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Uniprot Id P35372, P41145, P41143, P34975, P33535, P32300, Q9NUW8, Q92830, Q96KQ7, Q13951, P11473, n.a., P0DTD1
Defined Atom Stereocenter Count 7.0
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
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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
Xlogp 2.5
Defined Bond Stereocenter Count 0.0
Molecular Formula C23H28O8

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