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Chebulic acid

CAT: 0013-GTR19158014-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158014-02Size:200 mg
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Description
Chebulic acid, a phenolcarboxylic acid compound isolated from Terminalia chebula, has potent anti-oxidant activity, which breaks the cross-links of proteins induced by advanced glycation end-products (AGEs) and inhibits the formation of AGEs. Chebulic acid is effective in controlling elevated metabolic parameters, oxidative stress and renal damage, supporting its beneficial effect in diabetic nephropathy.
CAS Number
23725-05-5
Purity
>98% (HPLC)
Solubility
DMSO : 260 mg/mL (729.85 mM; Need ultrasonic)
Smiles
O=C (O) [C@H] ([C@@H] (C1=C (O) C (O) =C (O) C=C12) [C@@H] (C (O) =O) OC2=O) CC (O) =O
Molecular Formula
C??H??O??
Molecular Weight
356.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Chebulic acid

from the ripe fruits of Terminalia chebula

CAS Number23725-05-5
PubChem CID71308174
IUPAC Name(2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
Molecular FormulaC14H12O11
Molecular Weight356.24
XLogP-0.8
Topological Polar Surface Area199
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity587
SMILES
C1=C2C(=C(C(=C1O)O)O)[C@@H]([C@H](OC2=O)C(=O)O)[C@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m0/s1
InChIKey
COZMWVAACFYLBI-XJEVXTIOSA-N
Chemical Structure
2D Structure
2D structure of Chebulic acid
CAS: 23725-05-5
CID: 71308174
Formula: C14H12O11
MW: 356.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.24
XLogP3-0.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass356.03796119
Monoisotopic Mass356.03796119
Topological Polar Surface Area199 Ų
Heavy Atom Count25
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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