AKBA

CAT: 0931-T5S1569-06Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T5S1569-06Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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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 Number	67416-61-9
PubChem CID	11168203
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 Formula	C32H48O5
Molecular Weight	512.7
XLogP	7.2
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	37
Formal Charge	0
Complexity	1060

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

CAS: 67416-61-9

CID: 11168203

Formula: C32H48O5

MW: 512.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.7
XLogP3	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	512.35017463
Monoisotopic Mass	512.35017463
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T29797-01	AKB-6899
T25012-01	AKB-48-F

Alternative Products

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

AKBA

Chemical Information

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