Chemical fact sheet: Caffeic acid hexoside

Caffeic acid hexoside

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
(E)-3-(3-hydroxy-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylic acid
Formula
No formula stored
Exact mass
342.09510 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of caffeic acid hexoside
Figure 1.1: Chemical structure of caffeic acid hexoside

Sources

In summary, the chemical caffeic acid hexoside has been analyzed from following sources:

Calendula arvensis  L.
1st 2nd
Calendula suffruticosa subsp. lusitanica
1st 2nd
Helianthus annuus  L.
1st 2nd 3rd 4th

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. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .
  2. M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .
  3. Q. Liang, J. Cui, H. Li, J. Liu, and G. Zhao, "Florets of sunflower (Helianthus annuus L.): potential new sources of dietary fiber and phenolic acids.," Journal of Agricultural and Food Chemistry , vol. 61 , pp. 3435–3443 .

Analysis results

Analysis result 1

Detection technique Values Units
[M⁻ H]⁻ 341 : ND m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula arvensis  L.
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 2

Detection technique Values Units
[M⁻ H]⁻ 341 : ND m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula arvensis  L.
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 3

Detection technique Values Units
UV/Vis 236
320 		nm
[M⁻ H]⁻ 341 m/z
MS²⁻ 135
161
179 		m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula suffruticosa subsp. lusitanica
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
Detection note
341 --> 179 (100) [M - H - hexose]-; 135 (54) [caffeic acid - H - CO2]-; 161 (53) [caffeic acid - H - H2O]-
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 4

Detection technique Values Units
UV/Vis 241
311 		nm
[M⁻ H]⁻ 341 m/z
MS²⁻ 135
179 		m/z
STD
False
TLC
False
UV/Vis detector description
UHPLC-DAD
Mass spectrometer description
ESI, UHPLC-MS, linear ion trap
Organism
Calendula suffruticosa subsp. lusitanica
dried, powdered
Collection dates
2015-3, 2015-4
Sample note
The samples were identified by Dr. Paolo Silveira. A voucher specimen was deposited in the Herbarium of the Department of Biology University of Aveiro, Portugal.
Drying methods
oven-dried
Drying temperature
60 °C
Extraction solvents
methanol
Extraction mass/volume-ratio
100 mg/mL
Extraction repeats
4
Extraction time
2 d
Extraction temperature
20±5 °C
Extract drying method
vacuum evaporation
Extract drying temperature
40 °C
Analysis solvents
MeOH
Detection note
341 --> 179 (100) [M - H - hexose]-; 135 (10) [caffeic acid - H - CO2]-
References

M. Faustino, D. Pinto, M. Gonçalves, L. Salgueiro, P. Silveira, and A. Silva, "Calendula L. species polyphenolic profile and in vitro antifungal activity.," Journal of Functional Foods , vol. 45 , pp. 254–267 , DOI: 10.1016/j.jff.2018.04.013 .

Analysis result 5

Detection technique Values Units
UV/Vis 291
325 		nm
[M⁻ H]⁻ 341.09660 m/z
MS²⁻ 164.07810 m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ESI-TOF-MS
Organism
Helianthus annuus  L.
cultivated
ground, dried
Collection dates
2011-8
Sample note
The researchers collected ray florets from the sunflower capitulum.
Drying methods
dried in the dark, air-dried
Dried material storage temperature
15 °C
Dried material storage notes
in a brown desiccator with oxygen scavenger
Extraction solvents
80 % acetone (free phenolic compounds)
Extraction mass/volume-ratio
10 mg/mL
Extraction repeats
2
Extraction time
50 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation
Extract drying temperature
45 °C
Analysis solvents
MeOH
References

Q. Liang, J. Cui, H. Li, J. Liu, and G. Zhao, "Florets of sunflower (Helianthus annuus L.): potential new sources of dietary fiber and phenolic acids.," Journal of Agricultural and Food Chemistry , vol. 61 , pp. 3435–3443 .

Analysis result 6

Detection technique Values Units
UV/Vis 315 nm
[M⁻ H]⁻ 341.09650 m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ESI-TOF-MS
Organism
Helianthus annuus  L.
cultivated
ground, dried
Collection dates
2011-8
Sample note
The researchers collected ray florets from the sunflower capitulum.
Drying methods
dried in the dark, air-dried
Dried material storage temperature
15 °C
Dried material storage notes
in a brown desiccator with oxygen scavenger
Extraction solvents
80 % acetone (free phenolic compounds)
Extraction mass/volume-ratio
10 mg/mL
Extraction repeats
2
Extraction time
50 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation
Extract drying temperature
45 °C
Analysis solvents
MeOH
References

Q. Liang, J. Cui, H. Li, J. Liu, and G. Zhao, "Florets of sunflower (Helianthus annuus L.): potential new sources of dietary fiber and phenolic acids.," Journal of Agricultural and Food Chemistry , vol. 61 , pp. 3435–3443 .

Analysis result 7

Detection technique Values Units
[M⁻ H]⁻ 341 : ND m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ESI-TOF-MS
Organism
Helianthus annuus  L.
cultivated
ground, dried
Collection dates
2011-8
Sample note
The researchers collected disc florets from the sunflower capitulum.
Drying methods
dried in the dark, air-dried
Dried material storage temperature
15 °C
Dried material storage notes
in a brown desiccator with oxygen scavenger
Extraction solvents
80 % acetone (free phenolic compounds)
Extraction mass/volume-ratio
10 mg/mL
Extraction repeats
2
Extraction time
50 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation
Extract drying temperature
45 °C
Analysis solvents
MeOH
References

Q. Liang, J. Cui, H. Li, J. Liu, and G. Zhao, "Florets of sunflower (Helianthus annuus L.): potential new sources of dietary fiber and phenolic acids.," Journal of Agricultural and Food Chemistry , vol. 61 , pp. 3435–3443 .

Analysis result 8

Detection technique Values Units
[M⁻ H]⁻ 341 : ND m/z
STD
False
TLC
False
UV/Vis detector description
HPLC-DAD
Mass spectrometer description
ESI-TOF-MS
Organism
Helianthus annuus  L.
cultivated
ground, dried
Collection dates
2011-8
Sample note
The researchers collected disc florets from the sunflower capitulum.
Drying methods
dried in the dark, air-dried
Dried material storage temperature
15 °C
Dried material storage notes
in a brown desiccator with oxygen scavenger
Extraction solvents
80 % acetone (free phenolic compounds)
Extraction mass/volume-ratio
10 mg/mL
Extraction repeats
2
Extraction time
50 min
Extract liquid storage temperature
-80 °C
Extract drying method
evaporation
Extract drying temperature
45 °C
Analysis solvents
MeOH
References

Q. Liang, J. Cui, H. Li, J. Liu, and G. Zhao, "Florets of sunflower (Helianthus annuus L.): potential new sources of dietary fiber and phenolic acids.," Journal of Agricultural and Food Chemistry , vol. 61 , pp. 3435–3443 .