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308821-59-2

308821-59-2 Structure

308821-59-2 Structure
IdentificationBack Directory
[Name]

Kauran-18-olc acid,16,1719-tnhydroxy-,(4a)
[CAS]

308821-59-2
[Synonyms]

Kauran-18-olc acid,16,1719-tnhydroxy-,(4a)
(4alpha)-16,17,19-Trihydroxykauran-18-oic acid
Kauran-18-oic acid, 16,17,19-trihydroxy-, (4α)-
Kauran-18-oic acid, 16,17,19-trihydroxy-, (4α)-
(10alpha)-16alpha,17,19-Trihydroxykaurane-18-oic acid
Ent-16a, 17,19-trihydroxy chitosan-18-carboxylic acid
[Molecular Formula]

C20H32O5
[MDL Number]

MFCD33029125
[MOL File]

308821-59-2.mol
[Molecular Weight]

352.47
Chemical PropertiesBack Directory
[Melting point ]

244-246 °C(Solv: methanol (67-56-1))
[Boiling point ]

553.8±35.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[pka]

4.30±0.60(Predicted)
Hazard InformationBack Directory
[Uses]

Kauran-18-oic acid, 16,17,19-trihydroxy-, (4α)- (compound 5) is a endogenous ent-kaurane diterpene compound in green coffee beans, providing direct chemical indicators of low-quality coffee[1].
[References]

[1] Sichaya Sittipod, et al. Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis. J Agric Food Chem. 2020 Sep 23;68(38):10424-10431. DOI:10.1021/acs.jafc.0c01479
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