(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
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(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
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CAS No:
114702-59-9
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Formula:
C30H46O5
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Chemical Name:
(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
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Synonyms:
Olean-12-en-29-oic acid,3,23-dihydroxy-22-oxo-,(3β,4β,20α)-;(3β,4β,20α)-3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid;4-Epitriphyllic acid;Melilotigenin;Yunganogenin K
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CAS No:
Computed Properties
Molecular Weight:486.7
XLogP3:5.2
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:987
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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