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490-23-3,MFCD09264634
Catalog No.:AA006VVG

490-23-3 | beta-Tocotrienol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$106.00   $74.00
- +
5mg
≥98%
in stock  
$368.00   $257.00
- +
10mg
≥98%
in stock  
$679.00   $475.00
- +
25mg
≥98%
in stock  
$1,302.00   $911.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006VVG
Chemical Name:
beta-Tocotrienol
CAS Number:
490-23-3
Molecular Formula:
C28H42O2
Molecular Weight:
410.6319
MDL Number:
MFCD09264634
SMILES:
C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2C)O)/CC/C=C(/CCC=C(C)C)\C
Properties
Properties
 
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
625  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
2  
Formal Charge:
0  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
8.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:YASOOHEALTH-WO2005/35490,2005,A2Locationinpatent:Page/Pagecolumn21

[2]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[2]CurrentPatentAssignee:ANTHEMBIOSCIENCESPVTLTD.-WO2019/53605,2019,A1

Literature

Title: A short and convenient chemical route to optically pure 2-methyl chromanmethanols. Total asymmetric synthesis of beta-, gamma-, and delta-tocotrienols.

Journal: The Journal of organic chemistry 20070831

Title: In silico prediction of pregnane X receptor activators by machine learning approaches.

Journal: Molecular pharmacology 20070101

Title: Tocotrienols activate the steroid and xenobiotic receptor, SXR, and selectively regulate expression of its target genes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20041001

Title: Oral toxicity of a tocotrienol preparation in rats.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20010801

Title: A Kamal-Eldin, et al. The Chemistry and Antioxidant Properties of Tocopherols and Tocotrienols. Lipids. 1996 Jul;31(7):671-701.

Quotation Request
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SDS
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Tags:490-23-3 Molecular Formula|490-23-3 MDL|490-23-3 SMILES|490-23-3 beta-Tocotrienol
Catalog No.: AA006VVG
490-23-3,MFCD09264634
490-23-3 | beta-Tocotrienol
Pack Size： 1mg
Purity： ≥98%
in stock
$106.00 $74.00
Pack Size： 5mg
Purity： ≥98%
in stock
$368.00 $257.00
Pack Size： 10mg
Purity： ≥98%
in stock
$679.00 $475.00
Pack Size： 25mg
Purity： ≥98%
in stock
$1,302.00 $911.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006VVG
Chemical Name: beta-Tocotrienol
CAS Number: 490-23-3
Molecular Formula: C28H42O2
Molecular Weight: 410.6319
MDL Number: MFCD09264634
SMILES: C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2C)O)/CC/C=C(/CCC=C(C)C)\C
Properties
Storage: Inert atmosphere;-20 ℃;  
Complexity: 625  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 2  
Formal Charge: 0  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 8.9  
Downstream Synthesis Route
951404-42-5    490-23-3 

[1]CurrentPatentAssignee:YASOOHEALTH-WO2005/35490,2005,A2Locationinpatent:Page/Pagecolumn21

[2]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

850132-74-0    490-23-3 

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

850132-73-9    490-23-3 

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

850132-76-2    490-23-3 

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

850132-70-6    490-23-3 

[1]Couladouros,EliasA.;Moutsos,VassiliosI.;Lampropoulou,Maria;Little,JamesL.;Hyatt,JohnA.[JournalofOrganicChemistry,2007,vol.72,#18,p.6735-6741]

[2]CurrentPatentAssignee:ANTHEMBIOSCIENCESPVTLTD.-WO2019/53605,2019,A1

Literature fold

Title: A short and convenient chemical route to optically pure 2-methyl chromanmethanols. Total asymmetric synthesis of beta-, gamma-, and delta-tocotrienols.

Journal: The Journal of organic chemistry20070831

Title: In silico prediction of pregnane X receptor activators by machine learning approaches.

Journal: Molecular pharmacology20070101

Title: Tocotrienols activate the steroid and xenobiotic receptor, SXR, and selectively regulate expression of its target genes.

Journal: Drug metabolism and disposition: the biological fate of chemicals20041001

Title: Oral toxicity of a tocotrienol preparation in rats.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20010801

Title: A Kamal-Eldin, et al. The Chemistry and Antioxidant Properties of Tocopherols and Tocotrienols. Lipids. 1996 Jul;31(7):671-701.

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