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AKBA

CAT: 0013-GTR19158637-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158637-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AKBA is an antiangiogenic and neuroprotective agent, reducing the impact of proliferative retinopathies, protecting neurons against ischemic injury involving the Nrf2/HO-1 pathway. It selectively inhibits 5-lipoxygenase (IC50 = 1.5 μM) in an enzyme-directed, nonredox, and noncompetitive manner.2 3-acetyl-11-keto-β-Boswellic acid and other members of the boswellic acid family have been studied for potential use in the control of inflammatory diseases, including arthritis and cancer.
CAS Number
67416-61-9
Product Name Alternative
AKBA | 3-O-acetyl-11-keto-β-Boswellic acid
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 5.2 mg/mL; 10.14 mM
Smiles
CC1CCC2 (CCC3 (C (=CC (=O) C4C3 (CCC5C4 (CCC (C5 (C) C (=O) O) OC (=O) C) C) C) C2C1C) C) C
Molecular Formula
C32H48O5
Molecular Weight
512.73
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS) -3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

Chemical Information

Acetyl-11-Keto-Beta-Boswellic Acid

3-Acetyl-11-keto-beta-boswellic acid is a triterpenoid.

CAS Number67416-61-9
PubChem CID11168203
IUPAC Name(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular FormulaC32H48O5
Molecular Weight512.7
XLogP7.2
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1060
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
InChI
InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChIKey
HMMGKOVEOFBCAU-BCDBGHSCSA-N
Chemical Structure
2D Structure
2D structure of Acetyl-11-Keto-Beta-Boswellic Acid
CAS: 67416-61-9
CID: 11168203
Formula: C32H48O5
MW: 512.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.7
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass512.35017463
Monoisotopic Mass512.35017463
Topological Polar Surface Area80.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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