Chemical fact sheet: Aloe-emodin O-β-D-glucopyranoside

Aloe-emodin O-β-D-glucopyranoside

Basics

Category
Anthraquinone and quinone derivatives
IUPAC-name
8-hydroxy-3-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione
Formula
No formula stored
Exact mass
432.10560 g/mol
Molecular weight
432.40000 g/mol
Structure
Chemical structure of aloe-emodin O-β-D-glucopyranoside
Figure 1.1: Chemical structure of aloe-emodin O-β-D-glucopyranoside

Sources

In summary, the chemical aloe-emodin O-β-D-glucopyranoside has been analyzed from following sources:

Rheum tanguticum  Maxim. ex Balf
1st 2nd

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

References

  1. L. Gao, T. Guo, X. Xu, and J. Yang, "Rapid identification and simultaneous analysis of multiple constituents from Rheum tanguticum Maxim. ex Balf. By UPLC/Q-TOF-MS.," Natural Product Research , vol. 31 , no. 13 , pp. 1529–1535 , DOI: 10.1080/14786419.2017.1280491 .

Analysis results

Analysis result 1

Detection technique Values Units
UV/Vis 225
260 		nm
[M⁻ H]⁻ 431.09860 m/z
MS²⁻ 125.02290
169.01220
240.04280
269.04460 		m/z
STD
False
TLC
False
UV/Vis detector description
UPLC-UV/Vis
Mass spectrometer description
UPLC-QTOF-ESI-MS/MS, HDMS
Organism
Rheum tanguticum  Maxim. ex Balf
wild
dried, powdered
Collection dates
2007-10
Sample note
The root samples were identified by Prof. Zhichuan Bai at the College of Horticulture and Landscape, Southwest University. Voucher specimens (No. 200712) were deposited at the Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China.
Extraction solvents
methanol
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
3
Extraction time
1 h 30 min
Extraction temperature
20±5 °C
Analysis solvents
methanol
Detection note
The product ion at m/z 269.04, as the base peak in the MS/MS spectra, due to the loss of a glucoside unit (162.0523 Da). The authors tentatively identified the compound to be: aloe-emodin-8-O-β-D-glucopyranoside OR aloe-emodin-1-O-β-D-glucopyranoside.
References

L. Gao, T. Guo, X. Xu, and J. Yang, "Rapid identification and simultaneous analysis of multiple constituents from Rheum tanguticum Maxim. ex Balf. By UPLC/Q-TOF-MS.," Natural Product Research , vol. 31 , no. 13 , pp. 1529–1535 , DOI: 10.1080/14786419.2017.1280491 .

Analysis result 2

Detection technique Values Units
UV/Vis 225
260 		nm
[M⁻ H]⁻ 431.09960 m/z
MS²⁻ 125.02010
169.01280
225.05030
240.04130
269.04260 		m/z
STD
False
TLC
False
UV/Vis detector description
UPLC-UV/Vis
Mass spectrometer description
UPLC-QTOF-ESI-MS/MS, HDMS
Organism
Rheum tanguticum  Maxim. ex Balf
wild
dried, powdered
Collection dates
2007-10
Sample note
The root samples were identified by Prof. Zhichuan Bai at the College of Horticulture and Landscape, Southwest University. Voucher specimens (No. 200712) were deposited at the Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China.
Extraction solvents
methanol
Extraction mass/volume-ratio
40 mg/mL
Extraction repeats
3
Extraction time
1 h 30 min
Extraction temperature
20±5 °C
Analysis solvents
methanol
Detection note
The product ion at m/z 269.04, as the base peak in the MS/MS spectra, due to the loss of a glucoside unit (162.0523 Da). The authors tentatively identified the compound to be: aloe-emodin-1-O-β-D-glucopyranoside OR aloe-emodin-8-O-β-D-glucopyranoside.
References

L. Gao, T. Guo, X. Xu, and J. Yang, "Rapid identification and simultaneous analysis of multiple constituents from Rheum tanguticum Maxim. ex Balf. By UPLC/Q-TOF-MS.," Natural Product Research , vol. 31 , no. 13 , pp. 1529–1535 , DOI: 10.1080/14786419.2017.1280491 .