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β-Elemonic Acid

CAT: 0013-GTR19171191-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171191-01Size:1 mg
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Description
Beta-Elemonic Acid (3-Oxotirucallenoic Acid) is a natural triterpenoid with demonstrated anti-inflammatory and anticancer properties. In vitro studies, such as those using A549 lung cancer cells, show its activity involves MAPK signaling, ROS induction, and glutathione depletion, leading to apoptosis. It also acts as a prolyl endopeptidase inhibitor, supporting research in oncology and neuroscience.
CAS Number
28282-25-9
Product Name Alternative
Inhibitor, human, Endogenous Metabolite, Elemadienonic Acid, papyrifera, inhibit, lung, 3-Oxotirucallenoic Acid, 3-oxo Tirucallic Acid, A549, cancer, b-Elemonic Acid, Boswellia, anti-inflammatory, Anticancer, Apoptosis, Apoptosis inducer, Cyclooxygenase, Beta-Elemonic acid, COX-2, COX, POP, Prolyl Endopeptidase (PREP), prolyl oligopeptidase, ReactiveOxygenSpecies, Reactive Oxygen Species, Triterpene, βElemonic Acid, β-Elemonic acid, β-Elemonic Acid, β Elemonic Acid
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Neuroscience, Protein Biochemistry, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2 mg/mL (4.4 mM) ; DMSO:45.45 mg/mL (99.96 mM) ; Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble
Smiles
CC (C) =CCC[C@@H] ([C@@H]1CC[C@]2 (C) C3=C (CC[C@@]12C) [C@@]1 (C) CCC (=O) C (C) (C) [C@@H]1CC3) C (O) =O
Molecular Formula
C30H46O3
Molecular Weight
454.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elemonic acid

beta-Elemonicacid has been reported in Boswellia sacra, Trattinnickia burserifolia, and Boswellia papyrifera with data available.

CAS Number28282-25-9
PubChem CID15559100
IUPAC Name(2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP7.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity904
SMILES
CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C
InChI
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1
InChIKey
XLPAINGDLCDYQV-SDTWUMECSA-N
Chemical Structure
2D Structure
2D structure of Elemonic acid
CAS: 28282-25-9
CID: 15559100
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area54.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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