| SpectraBase Spectrum ID |
KMpPY4Ly4VP |
| Name |
2,4-dihydroxy-6-[(4R)-4-hydroxy-2-oxo-pentyl]-3-methyl-benzaldehyde |
| Appearance |
Solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-7(15)3-10(16)4-9-5-12(17)8(2)13(18)11(9)6-14/h5-7,15,17-18H,3-4H2,1-2H3/t7-/m1/s1 |
| InChIKey |
XLOIAYVHYLKCIY-SSDOTTSWSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200414c |
| Molecular Weight |
252.266 g/mol |
| Optical Rotation |
[a]25D = +20.8 (c = 0.014, MeOH) |
| Reported Formula |
C13H16O5 |
| SMILES |
O[C@@](CC(Cc1c(c(c(c(c1)O)C)O)C=O)=O)(C)[H] |
| SPLASH |
splash10-014i-0920000000-522d53a5bc378439f76a |
| Source of Spectrum |
G4-75-SM14-Compound 9 |
| Wiley ID |
1854766 |
![2,4-dihydroxy-6-[(4R)-4-hydroxy-2-oxo-pentyl]-3-methyl-benzaldehyde](/api/spectrum/KMpPY4Ly4VP/structure.png?h=300&w=458 "2,4-dihydroxy-6-[(4R)-4-hydroxy-2-oxo-pentyl]-3-methyl-benzaldehyde")
