Salvinorin A

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Systematic / IUPAC Name: Methyl (2S,4aR,6aR,7R,9S,10bR)-9-acetoxy-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate

ID: Reference5357

Other Names: (3S,4aR,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;
Divinorin A

Formula: C23H28O8

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites

Spectral Data

Salvinorin A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 188
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/29/2016 11:47:07 AM
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Identificators

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
InChI Key OBSYBRPAKCASQB-LKTZHPIXSA-N
Canonical SMILES CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC
CAS 83729015
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Other Names (3S,4aR,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;
Divinorin A

In Other Databases

ChEMBL CHEMBL178960
Wikipedia Salvinorin A
PubChem 44388804
ChemSpider 23244722