ESTRONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 57507587
Name
ESTRONE
IUPAC name
(8R,9R,13S,14S)-3-hydroxy-13-methylhexadecahydro-17H-cyclopenta[a]phenanthren-17-one
SMILES
O=C4[C@]3(CC[C@@H]2C1CCC(O)CC1CC[C@H]2[C@@H]3CC4)C
Molecular formula
C18H28O2
Molecular weight
276.42 g/mol
Monoisotopic mass
276.2089 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Humulus lupulus L. | fruit | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|