nelumol a

Modify Date: 2024-01-24 15:15:56

nelumol a Structure
nelumol a structure
Common Name nelumol a
CAS Number 77836-86-3 Molecular Weight 346.46
Density 1.0±0.1 g/cm3 Boiling Point 500.5±50.0 °C at 760 mmHg
Molecular Formula C21H30O4 Melting Point N/A
MSDS N/A Flash Point 256.5±30.1 °C

 Use of nelumol a


Nelumol A is a farnesoid X receptor (FXR) agonist[1].

 Names

Name (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]prop-2-en-1-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 500.5±50.0 °C at 760 mmHg
Molecular Formula C21H30O4
Molecular Weight 346.46
Flash Point 256.5±30.1 °C
Exact Mass 346.214417
PSA 47.92000
LogP 5.20
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.540

 Safety Information

Hazard Codes Xi

 Synthetic Route

~86%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~56%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Bruyre, Celine; Genovese, Salvatore; Lallemand, Benjamin; Ionescu-Motatu, Alexandra; Curini, Massimo; Kiss, Robert; Epifano, Francesco Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 14 p. 4174 - 4179

~%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

~%

nelumol a Structure

nelumol a

CAS#:77836-86-3

Literature: Zhao, Yu; Hao, Xiaojiang; Lu, Wei; Cai, Junchao; Yu, Hong; Sevenet, Thierry; Gueritte, Francoise Journal of Natural Products, 2002 , vol. 65, # 6 p. 902 - 908

 Synonyms

O-Geranylsinapyl alcohol
2-Propen-1-ol, 3-[4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3,5-dimethoxyphenyl]-, (2E)-
(2E)-3-(4-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-3,5-dimethoxyphenyl)-2-propen-1-ol
(E,E)-3-(4-((3,7-Dimethyl-2,6-octadienyl)oxy)-3,5-dimethoxyphenyl)-2-propen-1-ol
Nelumol A
2-Propen-1-ol, 3-(4-((3,7-dimethyl-2,6-octadienyl)oxy)-3,5-dimethoxyphenyl)-, (E,E)-
4-O-geranyl-sinapyl alcohol
geranyloxy sinapyl alcohol