3-O-Acetylbetulinic acid
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3-O-Acetylbetulinic acid
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CAS No:
10376-50-8
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Formula:
C32H50O4
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Chemical Name:
3-O-Acetylbetulinic acid
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Synonyms:
Lup-20(29)-en-28-oic acid,3-(acetyloxy)-,(3β)-;Lup-20(29)-en-28-oic acid,3β-hydroxy-,acetate;Lup-20(30)-en-28-oic acid,3β-hydroxy-,acetate;3aH-Cyclopenta[a]chrysene,lup-20(29)-en-28-oic acid deriv.;(3β)-3-(Acetyloxy)lup-20(29)-en-28-oic acid;Acetylbetulinic acid;Betulinic acid acetate;Acetobetulinic acid;Betulic acid acetate;3-O-Acetylbetulinic acid;Mairin,acetate;3-Acetylbetulinic acid;MJ 321-RS;3β-Acetoxybetulinic acid;NSC 152533;3β-Acetoxy-lup-20(29)-en-28-oic acid;Betulinic acid 3-O-acetate;1192133-68-8
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CAS No:
Characteristics
63.60000
9.84
1.1±0.1 g/cm3
290-292 °C
561.1±33.0 °C at 760 mmHg
169.1±18.9 °C
1.540
Computed Properties
Molecular Weight:498.7
XLogP3:8.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:498.37091007
Monoisotopic Mass:498.37091007
Topological Polar Surface Area:63.6
Heavy Atom Count:36
Complexity:967
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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