Chebulinic acid
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Chebulinic acid
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CAS No:
18942-26-2
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Formula:
C41H32O27
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Chemical Name:
Chebulinic acid
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Synonyms:
β-D-Glucopyranose,1,3,6-tris(3,4,5-trihydroxybenzoate),cyclic 2→2:4→1-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;7,11-Methanopyrano[4,3,2-kl][2,5,8]benzotrioxacyclotridecin,β-D-glucopyranose deriv.;Chebulinic acid;Eutannin;NSC 69862;11038-05-4;23235-71-4
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CAS No:
Description
Chebulinic acid is a potent natural inhibitor of M. tuberculosis DNA gyrase, also can inhibit SMAD-3 phosphorylation, inhibit H+ K+-ATPase activity.
Chebulinic acid is a tannin.
Characteristics
447.09000
4.14
2.04
1460.0±65.0 °C(Predicted)
437.2±27.8 °C
1.837
-20°C
0mmHg at 25°C
Computed Properties
Molecular Weight:956.7
XLogP3:0.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:12
Exact Mass:956.11309574
Monoisotopic Mass:956.11309574
Topological Polar Surface Area:447
Heavy Atom Count:68
Complexity:1880
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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