Chemical fact sheet: 3-O-caffeoylquinic acid butyl ester

3-O-caffeoylquinic acid butyl ester

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
butyl (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Formula
No formula stored
Exact mass
410.15770 g/mol
Molecular weight
No weights stored
Structure
Chemical structure of 3-O-caffeoylquinic acid butyl ester
Figure 1.1: Chemical structure of 3-O-caffeoylquinic acid butyl ester

Sources

In summary, the chemical 3-O-caffeoylquinic acid butyl ester has been analyzed from following sources:

Coreopsis tinctoria  Nutt.
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. N. Li, D. Meng, Y. Pan, Q. Cui, G. Li, H. Ni, Y. Sun, D. Qing, X. Jia, Y. Pan, and Y. Hou, "Anti-neuroinflammatory and NQO1 inducing activity of natural phytochemicals from Coreopsis tinctoria.," Journal of Functional Foods , vol. 17 , pp. 837–846 , DOI: 10.1016/j.jff.2015.06.027 .

Analysis results

Analysis result 1

Detection technique Values Units
[M⁻ H]⁻ 409 m/z
STD
False
TLC
False
UV/Vis detector description
UPLC-PDA
Mass spectrometer description
HR-ESI-MS
Organism
Coreopsis tinctoria  Nutt.
dried, powdered
Sample note
The flowers were collected in Xinjiang and identified by Professor Xiaoguang Jia, XinJian Institute of Chinese Materia Medica, Urumqi, China. The voucher specimen (No. 20120827) is deposited in the School of Traditional Chinese Material Medica, Shenyang Pharmaceutical University. Before extraction, the air-dried flowers were powdered (100mesh).
Drying methods
air-dried
Extraction solvents
95 % ethanol, ethyl acetate
Extraction repeats
1
Extract drying method
under reduced pressure
Analysis solvents
methanol
References

N. Li, D. Meng, Y. Pan, Q. Cui, G. Li, H. Ni, Y. Sun, D. Qing, X. Jia, Y. Pan, and Y. Hou, "Anti-neuroinflammatory and NQO1 inducing activity of natural phytochemicals from Coreopsis tinctoria.," Journal of Functional Foods , vol. 17 , pp. 837–846 , DOI: 10.1016/j.jff.2015.06.027 .