Rotundic acid
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Rotundic acid
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CAS No:
20137-37-5
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Formula:
C30H48O5
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Chemical Name:
Rotundic acid
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Synonyms:
Urs-12-en-28-oic acid,3,19,23-trihydroxy-,(3β,4α)-;Urs-12-en-28-oic acid,3β,19,23-trihydroxy-;(3β,4α)-3,19,23-Trihydroxyurs-12-en-28-oic acid;Rotundic acid;3β,19α,23-Trihydroxyurs-12-en-28-oic acid;22-Deoxyilexolic acid A
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CAS No:
Description
Rotundic acid, a triterpenoid obtained from I. rotunda, induces DNA damage and cell apoptosis in hepatocellular carcinoma through AKT/mTOR and MAPK Pathways. Rotundic acid possesses anti-inflammatory and cardio-protective abilities[1].
Rotundic acid is a triterpenoid. It has a role as a metabolite.
Characteristics
97.99000
5.75
1.2±0.1 g/cm3
272-274 °C (decomp) @ Solvent: Methanol
622.8±55.0 °C at 760 mmHg
344.5±28.0 °C
1.581
Computed Properties
Molecular Weight:488.7
XLogP3:5.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:488.35017463
Monoisotopic Mass:488.35017463
Topological Polar Surface Area:98
Heavy Atom Count:35
Complexity:945
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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