MedKoo Cat#: 591148 | Name: Adhumulone

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Adhumulone is primarily of importance to the production of beer.

Chemical Structure

Adhumulone
CAS#28374-89-2

Theoretical Analysis

MedKoo Cat#: 591148

Name: Adhumulone

CAS#: 28374-89-2

Chemical Formula: C21H30O5

Exact Mass: 362.2093

Molecular Weight: 362.47

Elemental Analysis: C, 69.59; H, 8.34; O, 22.07

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Adhumulone;
IUPAC/Chemical Name
4-Cyclohexene-1,3-dione, 2,5-dihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-
InChi Key
VISQWZWNDCYFMY-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14-15,23,26H,7,9,11H2,1-6H3
SMILES Code
O=C1C(C/C=C(C)\C)(O)C(C(C(C(C)CC)=O)=C(O)C1C/C=C(C)\C)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 362.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Kao TH, Wu GY. Simultaneous determination of prenylflavonoid and hop bitter acid in beer lee by HPLC-DAD-MS. Food Chem. 2013 Nov 15;141(2):1218-26. doi: 10.1016/j.foodchem.2013.04.032. Epub 2013 Apr 18. PubMed PMID: 23790907. 2: Saugspier M, Dorn C, Czech B, Gehrig M, Heilmann J, Hellerbrand C. Hop bitter acids inhibit tumorigenicity of hepatocellular carcinoma cells in vitro. Oncol Rep. 2012 Oct;28(4):1423-8. doi: 10.3892/or.2012.1925. Epub 2012 Jul 20. PubMed PMID: 22825405. 3: Cai X, Xia L, Sun Y, Li T, Xia M. [Analysis of six acidic components in hops extracts by high performance liquid chromatography]. Se Pu. 2011 Oct;29(10):983-7. Chinese. PubMed PMID: 22268354. 4: Intelmann D, Demmer O, Desmer N, Hofmann T. 18O stable isotope labeling, quantitative model experiments, and molecular dynamics simulation studies on the trans-specific degradation of the bitter tasting iso-alpha-acids of beer. J Agric Food Chem. 2009 Nov 25;57(22):11014-23. doi: 10.1021/jf903000c. PubMed PMID: 19860448. 5: Hecht S, Kammhuber K, Reiner J, Bacher A, Eisenreich W. Biosynthetic experiments with tall plants under field conditions. 18O2 incorporation into humulone from Humulus lupulus. Phytochemistry. 2004 Apr;65(8):1057-60. PubMed PMID: 15110685. 6: Hoek AC, Hermans-Lokkerbol AC, Verpoorte R. An improved NMR method for the quantification of alpha-acids in hops and hop products. Phytochem Anal. 2001 Jan-Feb;12(1):53-7. PubMed PMID: 11704962.