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
Radicinin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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- |
ChEMBL | CHEMBL1994984 |
ChemSpider | 4529404 |
ChemIDPlus | 010088956 |
PubChem | 5381458 |