Daturaolone
From Wikipedia, the free encyclopedia
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| Names | |
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| Preferred IUPAC name
(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-Hydroxy-4,4,6a,6b,8a,14b-hexamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3(2H)-one | |
| Identifiers | |
3D model (JSmol) |
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| ChEMBL | |
| ChemSpider | |
PubChem CID |
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CompTox Dashboard (EPA) |
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| Properties | |
| C30H48O2 | |
| Molar mass | 440.712 g·mol−1 |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Daturaolone is a pentacyclic oleanane triterpenoid,[1] also known as 3-oxo-6-β-hydroxy-β-amyrin,[2] found in Datura species such as Datura stramonium[3] and Datura innoxia.[4]
It was isolated for the first time from Solanum arundo.[5]
Structure
Daturaolone contains five rings with a ketone group and a hydroxyl group, which may be essential for its bioactivities. The structure was deduced through mass spectroscopy and 1H NMR spectroscopy.[6]