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AKBA

CAT: 1410-M18980-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M18980-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-O-Acetyl-11-keto-beta-boswellic acid inhibits 5-lipoxygenase product formation with an IC (5) of 1.5 m muM.
CAS Number
67416-61-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
512.73
Molecular Formula
C32H48O5
Notes
Research use only, not for human use.
Receptor
Others

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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