Dihydrobetulinic acid
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Dihydrobetulinic acid
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CAS No:
25488-53-3
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Formula:
C30H50O3
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Chemical Name:
Dihydrobetulinic acid
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Synonyms:
Lupan-28-oic acid,3-hydroxy-,(3β)-;Lupan-28-oic acid,3β-hydroxy-;(3β)-3-Hydroxylupan-28-oic acid;Dihydrobetulic acid;Dihydrobetulinic acid;MJ 458-RS;31032-68-5;1192133-33-7
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CAS No:
Description
Dihydrobetulinic acid is a pentacyclic triterpenoid that is lupane having a 3beta-hydroxy and 28-carboxy substituents. Isolated from the leaves of Syzygium claviflorum, it exhibits anti-HIV and antileishmanial activity. It has a role as a metabolite, an anti-HIV agent, an antileishmanial agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a hydroxy monocarboxylic acid and a pentacyclic triterpenoid. It derives from a hydride of a lupane.
Computed Properties
Molecular Weight:458.7
XLogP3:8.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:458.37599545
Monoisotopic Mass:458.37599545
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Complexity:817
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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