Radicinin

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Systematic / IUPAC Name: (2S,3S)-3-Hydroxy-2-methyl-7-[(1E)-1-propen-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyran-4,5-dione

ID: Reference3478

Other Names: Stemphylone;
(2S,3S)-3-Hydroxy-2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione;
(2S,3S)-3-Hydroxy-2-methyl-7-[(1E)-prop-1-en-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyran-4,5-dione;
2,3-Dihydro-3-α-hydroxy-2-β-methyl-7-propenyl-4H,5H-pyrano[4,3-b]pyran-4,5-dione ;
4H,5H-Pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3-α-hydroxy-2-β-methyl-7-propenyl-

Formula: C12H12O5

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 2937
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/10/2015 6:43:31 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10-/m0/s1
InChI Key SDKXGAICTNHFCN-DCJAWTJCSA-N
Canonical SMILES CC=CC1=CC2=C(C(=O)C(C(O2)C)O)C(=O)O1
CAS 10088956
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Other Names Stemphylone;
(2S,3S)-3-Hydroxy-2-methyl-7-[(E)-prop-1-enyl]-2,3-dihydropyrano[3,2-c]pyran-4,5-dione;
(2S,3S)-3-Hydroxy-2-methyl-7-[(1E)-prop-1-en-1-yl]-2,3-dihydro-4H,5H-pyrano[4,3-b]pyran-4,5-dione;
2,3-Dihydro-3-α-hydroxy-2-β-methyl-7-propenyl-4H,5H-pyrano[4,3-b]pyran-4,5-dione ;
4H,5H-Pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3-α-hydroxy-2-β-methyl-7-propenyl-

In Other Databases

ChEMBL CHEMBL1994984
ChemSpider 4529404
ChemIDPlus 010088956
PubChem 5381458