Bryonolic acid
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Bryonolic acid
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CAS No:
24480-45-3
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Formula:
C30H48O3
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Chemical Name:
Bryonolic acid
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Synonyms:
26-Norolean-8-en-29-oic acid,3-hydroxy-13-methyl-,(3β,13α,14β,20β)-;Bryonolic acid;D:C-Friedoolean-8-en-29-oic acid,3β-hydroxy-;D:C-Friedoolean-8-en-29-oic acid,3-hydroxy-,(3β,20β)-;(3β,13α,14β,20β)-3-Hydroxy-13-methyl-26-norolean-8-en-29-oic acid;[2S-(2α,4aα,6aα,8aβ,10α,12aα,14aβ,14bα)]-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-2-picenecarboxylic acid;2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-,(2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-;5957-43-7
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CAS No:
Description
20-epi-bryonolic acid is a pentacyclic triterpenoid of D:C-friedooleanane-type triterpenoids isolated from the stems of Lagenaria siceraria and roots of Coriaria intermedia and has been found to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid.
Characteristics
57.53000
8.99
1.1±0.1 g/cm3
303.5 °C
553.3±50.0 °C at 760 mmHg
302.5±26.6 °C
1.557
1.51E-14mmHg at 25°C
Computed Properties
Molecular Weight:456.7
XLogP3:7.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Complexity:902
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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