2,3-O-Diacetylcorosolic acid
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2,3-O-Diacetylcorosolic acid
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CAS No:
57498-76-7
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Formula:
C34H52O6
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Chemical Name:
2,3-O-Diacetylcorosolic acid
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Synonyms:
CHEMBL397155;57498-76-7;2,3-o-Diacetylcorosolic acid;BDBM50346617;ZINC44093513;498B767;2,3-Bis(acetyloxy)-(2alpha,3beta)-urs-12-en-28-oic acid;(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:556.8
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:556.37638937
Monoisotopic Mass:556.37638937
Topological Polar Surface Area:89.9
Heavy Atom Count:40
Complexity:1120
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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