Chemical fact sheet: Pedunculagin

Pedunculagin

Basics

Category
Tannins
IUPAC-name
(6aR,8aR,21aR,21bS)-1,2,3,7,13,14,15,16,17,18,25,26,27-tridecahydroxy-6a,7,8a,9,21a,21b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-5,11,20,23-tetraone
Formula
No formula stored
Exact mass
784.07592 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of pedunculagin
Figure 1.1: Chemical structure of pedunculagin

Sources

In summary, the chemical pedunculagin has been analyzed from following sources:

Alnus glutinosa  (L.) Gaertn.
1st
Punica granatum
1st

Note that an analysis result in the database may indicate either presence or lack thereof of a chemical in an analyzed sample.

References

  1. V. Di Stefano, R. Pitonzo, M. Novara, D. Bongiorno, S. Indelicato, C. Gentile, G. Avellone, R. Bognanni, S. Scandurra, and M. Melilli, "Antioxidant activity and phenolic composition in pomegranate (Punica granatum L.) genotypes from south Italy by UHPLC-Orbitrap-MS approach.," Journal of the Science of Food and Agriculture , vol. 99 , pp. 1038–1045 , DOI: 10.1002/jsfa.9270 .
  2. S. Ivanova, Nomura Kenzo, I. Malfanov, and L. Ptitsyn, "Glutinoin, a novel antioxidative ellagitannin from Alnus glutinosa cones with glutinoic acid dilactone moiety.," Natural Product Research , vol. 26 , no. 19 , pp. 1806–1816 , DOI: 10.1080/14786419.2011.613387 .

Analysis results

Analysis result 1

Detection technique Values Units
[M⁻ H]⁻ 783.06726 m/z
MS²⁻ 300.99750 m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI-MS, quadrupole Orbitrap MS
Organism
Punica granatum
cultivated
squeezed, fresh, frozen, juice
Sample note
The samples were identified and collected by the researchers.
Dried material storage temperature
-20 °C
Dried material storage notes
dark
Extract liquid storage temperature
-20 °C
References

V. Di Stefano, R. Pitonzo, M. Novara, D. Bongiorno, S. Indelicato, C. Gentile, G. Avellone, R. Bognanni, S. Scandurra, and M. Melilli, "Antioxidant activity and phenolic composition in pomegranate (Punica granatum L.) genotypes from south Italy by UHPLC-Orbitrap-MS approach.," Journal of the Science of Food and Agriculture , vol. 99 , pp. 1038–1045 , DOI: 10.1002/jsfa.9270 .

Analysis result 2

Detection technique Values Units
UV/Vis 218
258 sh 		nm
[M⁻ H]⁻ 783.06470 m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-PDA
Mass spectrometer description
ESI-MS, API
Organism
Alnus glutinosa  (L.) Gaertn.
powdered
Sample note
Dr. V. Karandashov identified the plant material; batch no. 002569/1. The voucher specimen (20-A) was deposited at the Ajinomoto-Genetika Research Institute (AGRI).
Extraction solvents
70 % ethanol
Extraction mass/volume-ratio
25 mg/mL
Extraction repeats
1
Extraction time
12 h
Extraction temperature
20±5 °C
Extract drying method
freeze-drying, rotary evaporation
Dried extract storage temperature
-20 °C
References

S. Ivanova, Nomura Kenzo, I. Malfanov, and L. Ptitsyn, "Glutinoin, a novel antioxidative ellagitannin from Alnus glutinosa cones with glutinoic acid dilactone moiety.," Natural Product Research , vol. 26 , no. 19 , pp. 1806–1816 , DOI: 10.1080/14786419.2011.613387 .