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1891-42-5

1891-42-5 Structure

1891-42-5 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

3
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

4,5-Dihydroxy-2,2-bis(3-methyl-2-butenyl)- 4-cyclopentene-1,3-dione(1891-42-5)1HNMR
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