EQUISETIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 54684703
Name
EQUISETIN
IUPAC name
(S,E)-3-(((1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-((E)-prop-1-en-1-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)(hydroxy)methylene)-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
SMILES
C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)/C(=C\3/C(=O)[C@@H](N(C3=O)C)CO)/O)C
Molecular formula
C22H31NO4
Molecular weight
373.49 g/mol
Monoisotopic mass
373.2253 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Equisetum arvense L. | - | - |
Jim Duke's personal files.
|
| Equisetum arvense L. | - | - |
Pedersen, M. 1987. Nutritional Herbology. Pederson Publishing. Bountiful, Utah. 377 pp.
|