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13100-69-1,MFCD18252368
Catalog No.:AA009F78

13100-69-1 | (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept- 1-yl)-2,4,6,8-nonatetraenoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥96%
in stock  
$496.00   $347.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009F78
Chemical Name:
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept- 1-yl)-2,4,6,8-nonatetraenoic acid
CAS Number:
13100-69-1
Molecular Formula:
C20H28O3
Molecular Weight:
316.4345
MDL Number:
MFCD18252368
SMILES:
C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C12OC2(C)CCCC1(C)C
Properties
Computed Properties
 
Complexity:
606  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
4  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5  

Literature

Title: Free radical oxidation of (E)-retinoic acid by the Fenton reagent: competing epoxidation and oxidative breakdown pathways and novel products of 5,6-epoxyretinoic acid transformation.

Journal: Chemical research in toxicology 20041201

Title: Nitrite-induced nitration pathways of retinoic acid, 5,6-epoxyretinoic acid, and their esters under mildly acidic conditions: toward a reappraisal of retinoids as scavengers of reactive nitrogen species.

Journal: Chemical research in toxicology 20030401

Title: Granulocytic differentiation of human NB4 promyelocytic leukemia cells induced by all-trans retinoic acid metabolites.

Journal: Cancer research 20010115

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SDS
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Tags:13100-69-1 Molecular Formula|13100-69-1 MDL|13100-69-1 SMILES|13100-69-1 (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept- 1-yl)-2,4,6,8-nonatetraenoic acid
Catalog No.: AA009F78
13100-69-1,MFCD18252368
13100-69-1 | (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept- 1-yl)-2,4,6,8-nonatetraenoic acid
Pack Size： 1mg
Purity： ≥96%
in stock
$496.00 $347.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA009F78
Chemical Name: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept- 1-yl)-2,4,6,8-nonatetraenoic acid
CAS Number: 13100-69-1
Molecular Formula: C20H28O3
Molecular Weight: 316.4345
MDL Number: MFCD18252368
SMILES: C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C12OC2(C)CCCC1(C)C
Properties
Complexity: 606  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 4  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5  
Literature fold

Title: Free radical oxidation of (E)-retinoic acid by the Fenton reagent: competing epoxidation and oxidative breakdown pathways and novel products of 5,6-epoxyretinoic acid transformation.

Journal: Chemical research in toxicology20041201

Title: Nitrite-induced nitration pathways of retinoic acid, 5,6-epoxyretinoic acid, and their esters under mildly acidic conditions: toward a reappraisal of retinoids as scavengers of reactive nitrogen species.

Journal: Chemical research in toxicology20030401

Title: Granulocytic differentiation of human NB4 promyelocytic leukemia cells induced by all-trans retinoic acid metabolites.

Journal: Cancer research20010115

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Historical Records
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