Salvinorin B

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

ID: Reference5073

Other Names: Divinorin B;
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-;
(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-methyl ester-2H-naphtho[2,1-c]pyran-7-carboxylic acid

Formula: C21H26O7

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Salvinorin B 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 212
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/1/2016 8:35:39 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChI Key BLTMVAIOAAGYAR-CEFSSPBYSA-N
Canonical SMILES CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)O)C)C4=COC=C4
CAS 92545307
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Other Names Divinorin B;
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-;
(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-Furanyl)dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-methyl ester-2H-naphtho[2,1-c]pyran-7-carboxylic acid

In Other Databases

PubChem 11440685
Wikipedia Salvinorin
ChemSpider 9615549