Chemical fact sheet: Cis 3,5-O-dicaffeoylquinic acid

Cis 3,5-O-dicaffeoylquinic acid

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
(1R,3R,4S,5R)-1,3-bis(((Z)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-4,5-dihydroxycyclohexane-1-carboxylic acid
Formula
No formula stored
Exact mass
516.12680 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of cis 3,5-O-dicaffeoylquinic acid
Figure 1.1: Chemical structure of cis 3,5-O-dicaffeoylquinic acid

Sources

In summary, the chemical cis 3,5-O-dicaffeoylquinic acid has been analyzed from following sources:

Achillea millefolium  L.
1st 2nd 3rd

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

References

  1. M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis results

Analysis result 1

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 515 m/z
MS²⁻ 135
161
173
179
191
335
353 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
methanol
Extraction mass/volume-ratio
16.7 mg/mL
Extraction repeats
2
Extraction time
1 h
Extraction temperature
25 °C
Extract drying method
rotary evaporation
Extract drying temperature
40 °C
Analysis solvents
water
Detection note
515 --> the obtained fragments with their relative intensities in the parentheses: 353 (96), 335 (4), 191 (100), 179 (70), 173 (8), 161 (14) and 135 (22).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis result 2

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 515 m/z
MS²⁻ 135
161
173
179
191
335
353 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
water
Extraction mass/volume-ratio
5 mg/mL
Extraction repeats
1
Extraction time
10 min
Extraction temperature
100 °C
Extract drying method
lyophilization, Infusion
Analysis solvents
water
Detection note
515 --> the obtained fragments with their relative intensities in the parentheses: 353 (96), 335 (4), 191 (100), 179 (70), 173 (8), 161 (14) and 135 (22).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .

Analysis result 3

Detection technique Values Units
UV/Vis 328 nm
[M⁻ H]⁻ 515 m/z
MS²⁻ 135
161
173
179
191
335
353 		m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
HPLC-MS/MS
Organism
Achillea millefolium  L.
wild
dried, powdered
Sample note
The wild yarrrow inflorescences and upper leaves were collected by researchers from 50 plants growing in two different grasslands of about one hectare. The gathered material was mixed and made into a unique sample, dried and powdered (20mesh). A voucher specimen was deposited at the Herbarium fo the Excola Superior Agraria de Braganca (BRESA).
Drying methods
lyophilized
Extraction solvents
water
Extraction mass/volume-ratio
5 mg/mL
Extraction repeats
1
Extraction time
10 min
Extraction temperature
100 °C
Extract drying method
lyophilization, decoction
Analysis solvents
water
Detection note
515 --> the obtained fragments with their relative intensities in the parentheses: 353 (96), 335 (4), 191 (100), 179 (70), 173 (8), 161 (14) and 135 (22).
References

M. Dias, L. Barros, M. Duenas, E. Pereira, A. Carvalho, M. Oliveira, C. Santos-Buelga, and I. Ferreira, "Chemical composition of wild and commercial Achillea millefolium L. and bioactivity of the methanolic extract, infusion and decoction.," Food Chemistry , vol. 141 , no. 4 , pp. 4152–4160 , DOI: 10.1016/j.foodchem.2013.07.018 .