3β-Hydroxy-1-oxoolean-12-en-28-oic acid
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3β-Hydroxy-1-oxoolean-12-en-28-oic acid
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CAS No:
14356-51-5
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Formula:
C30H46O4
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Chemical Name:
3β-Hydroxy-1-oxoolean-12-en-28-oic acid
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Synonyms:
3β-Hydroxy-1-oxoolean-12-en-28-oic acid;Momordic acid;Virgatic acid;(3beta)-3-Hydroxy-1-oxo-olean-12-en-28-oic acid;Vergatic acid
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CAS No:
Description
Virgatic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by a carboxy group at position 28, a beta-hydroxy group at position 3 and an oxo group at position 1. It has been isolated from Juglans sinensis. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a cyclic terpene ketone and a hydroxy monocarboxylic acid. It derives from a hydride of an oleanane.
Computed Properties
Molecular Weight:470.7
XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:470.33960994
Monoisotopic Mass:470.33960994
Topological Polar Surface Area:74.6
Heavy Atom Count:34
Complexity:961
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3β-Hydroxy-1-oxoolean-12-en-28-oic acid
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