C-ATR
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C-ATR
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CAS No:
35988-42-2
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Formula:
C31H44K2O18S2
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Chemical Name:
C-ATR
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Synonyms:
C-ATR,CAT;33286-30-5 (Di-potassium salt);Carboxyatractylate;Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-((2-o-(3-methyl-1-oxobutyl)-3,4-di-o-sulfo-alpha-D-glucopyranosyl)oxy)-, (2beta,15alpha)-;CAT;C-ATR;CARBOXYATRACTYLOSIDE;CARBOXYATRACTYLOSIDE, ATRACTYLIS GUMMIFERA
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CAS No:
Computed Properties
Molecular Weight:770.8
XLogP3:0.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:13
Exact Mass:770.21255696
Monoisotopic Mass:770.21255696
Topological Polar Surface Area:304
Heavy Atom Count:51
Complexity:1600
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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