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|Salvinorin A
Salvinorin A
Names: Salvinorin A (primary)
(2S,6aR,7R,9S,10bR)-9-Acetoxy-2-(3-furyl)-4,10-diketo-6a,10b-dimethyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid methyl ester (IUPAC traditional)
(2S,6aR,7R,9S,10bR)-9-Acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester (IUPAC CAS-like)
Methyl (2S,6aR,7R,9S,10bR)-9-acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate (IUPAC allowed)
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate (IUPAC ACD/Name)
Methyl (2S,6aR,7R,9S,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 (IUPAC preferred; IUPAC systematic)
Molecular formula: C23H28O8
Nominal mass: 432
Average mass: 432.4636
Monoisotopic mass: 432.178418
CAS registry number: 83729-01-5
ChemSpider: 113947
PubChem: 44402660 44388804 25242485 24011713 16759608 11969624 11546512 10320585 128563
Wikipedia: Salvinorin A
Erowid: Salvia Divinorum
Standard 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
Standard InChIKey: OBSYBRPAKCASQB-AGQYDFLVSA-N
SMILES: CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Tags: unclassified
 
Property Value Remarks
Property Value Remarks
Location Type Remarks
salvinornA.pdf EI MS Agilent MSD
Vendor ID URL
Cerilliant S-012 http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=ae20705f-2271-49a0-9424-76a04e3d5a93
Grace Davison (Alltech) 01660 http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Lipomed SLV-1095 http://www.lipomed.com/diagnostics/ref/?SLV-1095
Sigma Aldrich S8071 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=S8071|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
THC Pharm Salvinorin A https://biochem.thc-pharm.de/product_info.php?cPath=2_8&products_id=49
Title Publication Date Vol. Iss. Page(s) Remarks
Analyzing Salvia Divinorum and its Active Ingredient Salvinorin A Utilizing Thin Layer Chromatography and Gas Chromatography/Mass Spectrometry Journal of Forensic Sciences 2009-05-00 Vol 54 (3) John D. Jermain M.Sc. et al
Selected Intelligence Brief Information Bulletin: Salvia Divinorum Microgram Bulletin 2003-06-00 Vol 36 (6)
Database ID URL
SWGDRUG Mass Spectral Library 550 http://www.swgdrug.org/ms.htm
Mass Spectra of Designer Drugs 2010
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