| Identification | Back Directory | [Name]
4,5-Dihydroxy-2,2-bis(3-methyl-2-butenyl)- 4-cyclopentene-1,3-dione | [CAS]
1891-42-5 | [Synonyms]
Hulupinic acid
Lupulone C/Hulupinic acid
4,5-Dihydroxy-2,2-bis(3-methyl-2-butenyl)- 4-cyclopentene-1,3-dione
4-Cyclopentene-1,3-dione, 4,5-dihydroxy-2,2-bis(3-methyl-2-buten-1-yl)- | [Molecular Formula]
C15H20O4 | [MDL Number]
MFCD16652587 | [MOL File]
1891-42-5.mol | [Molecular Weight]
264.32 |
| Chemical Properties | Back Directory | [Boiling point ]
369.0±42.0 °C(Predicted) | [density ]
1.177±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [pka]
4.20±1.00(Predicted) | [BRN ]
2124574 | [InChI]
1S/C15H20O4/c1-9(2)5-7-15(8-6-10(3)4)13(18)11(16)12(17)14(15)19/h5-6,16-17H,7-8H2,1-4H3 | [InChIKey]
KKNXLCGOZLVUHL-UHFFFAOYSA-N | [SMILES]
C\C(C)=C/CC1(C\C=C(\C)C)C(=O)C(O)=C(O)C1=O |
| Hazard Information | Back Directory | [Uses]
Hulupinic acid is a prominent oxidation product of hop acids[1]. | [Definition]
ChEBI: Hulupinic acid is an enol and an enone. | [References]
[1] Schretter C, et al. Quantitative Analysis of Prenylated Constituents in Commercial Hops Samples Using Ultrahigh-Performance Supercritical Fluid Chromatography. Planta Med. 2020 Oct;86(15):1140-1147. DOI:10.1055/a-1130-0590 |
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