(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid
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(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid
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CAS No:
152845-76-6
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Formula:
C30H46O5
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Chemical Name:
(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid
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Synonyms:
Olean-12-en-28-oic acid,3,21-dihydroxy-23-oxo-,(3β,4α,21β)-;(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid;Lucyin A
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CAS No:
Computed Properties
Molecular Weight:486.7
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:486.33452456
Monoisotopic Mass:486.33452456
Topological Polar Surface Area:94.8
Heavy Atom Count:35
Complexity:970
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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