Methyl ursolate
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Methyl ursolate
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CAS No:
32208-45-0
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Formula:
C31H50O3
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Chemical Name:
Methyl ursolate
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Synonyms:
Urs-12-en-28-oic acid,3-hydroxy-,methyl ester,(3β)-;Urs-12-en-28-oic acid,3β-hydroxy-,methyl ester;Methyl ursolate;Ursolic acid methyl ester;Methyl (3β)-3-Hydroxyurs-12-en-28-oate;989-71-9;51704-33-7
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CAS No:
Characteristics
46.5 Ų
1.06±0.1 g/cm3
170.5-171.5 °C @ Solvent: Ethanol, 70%
529.2±50.0 °C(Predicted)
Computed Properties
Molecular Weight:470.7
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:470.37599545
Monoisotopic Mass:470.37599545
Topological Polar Surface Area:46.5
Heavy Atom Count:34
Complexity:889
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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