Humulone
Compound with spectra: 1 NMR
| SpectraBase Compound ID | GMqI3XwfpRa |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23,25-26H,8,10-11H2,1-6H3/t21-/m1/s1 |
| InChIKey | VZMXLSLKOHIKTQ-OAQYLSRUSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
| Enantiomer InChIKey | VZMXLSLKOHIKTQ-NRFANRHFSA-N |
| Racemate InChIKey | VZMXLSLKOHIKTQ-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
QRPHLEPFYLNRDA-XKMURKJVSA-N
8,12-Abietadiene-11,12-dione
2-Cyclopenten-1-one, 5-(2,3-dihydroxy-3-methylbutyl)-3,4-dihydroxy-2-(3-methyl-1-oxobutyl) -4-(4-methyl-1-oxo-3-pentenyl)-
5-(AMINO-2'-HYDROXYETHYL)-2,6-DIMETHYL-6-HYDROXY-4-(2'-METHYL-1-OXOBUTYL)-3-METHOXY-2,4-CYCLOHEXADIEN-1-ONE
[PH4C4SI(SIME3)(ISO-BUTYL)];1-TRIMETHYLSILYL-1-ISO-BUTYL-2,3,4,5-TETRAPHENYL-1-SILACYCLOPENTA-DIENE
9-[(diethylamino)methyl]-8,9-dihydro-4,9-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-2,10-dione, mercaptosuccinate(1:1)
Dimethyl 3-Acetoxy-7-(cyclohexenyl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate
FLAGRANONE-A
1,3,4,4a,7,8,8a,9-Octahydro-8a.beta.-acetoxymethyl-1.alpha.,4a.beta.-dimethyl-2,6-phenanthrenedione 2-(Ethylene Acetal)
8,9-dihydro-4,9-dimethyl-9-[(dipropylamino)methyl]-2H,10H-benzo[1,2-b:3,4-b']dipyran-2,10-dione
| Title | Journal or Book | Year |
|---|---|---|
| LC-MS/MS Quantitation of Hop-Derived Bitter Compounds in Beer Using the ECHO Technique | Journal of Agricultural and Food Chemistry | 2009 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.