Products for Research Use Only
RegisterLogin

AKBA

CAT: 0931-T5S1569-07Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T5S1569-07Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
67416-61-9
Target
HIF/HIF Prolyl-Hydroxylase, Reactive Oxygen Species, ROS, Endogenous Metabolite
Related Pathways
NF-κB, Metabolism, Chromatin/Epigenetic, Immunology/Inflammation
Purity
0.9977
Bioactivity
AKBA (3-O-Acetyl-11-keto-beta-boswellic acid), a natural component from frankincense, is a novel activator of Nrf2.
Smiles
CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
Molecular Formula
C32H48O5
Molecular Weight
512.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T29797-01AKB-6899
T25012-01AKB-48-F

Alternative Products

CatalogName
526492AKBA
A17908-1000AKBA 1g
A17908-500AKBA 500mg
A17908-25AKBA 25mg
A17908-10AKBA 10mg
A17908-5AKBA 5mg
HY-N0892R-01AKBA (Standard)
A17908-100AKBA 100mg
A17908-50AKBA 50mg
A17908-1AKBA 1mg

Popular Products