BETULIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 72326
Name
BETULIN
IUPAC name
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
Molecular formula
C30H50O2
Molecular weight
442.73 g/mol
Monoisotopic mass
442.3811 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Castanea sativa Mill. | leaf | 1000 ppm |
Jim Duke's personal files.
|
| Clinopodium vulgare L. subsp. vulgare | aerial parts | - |
Jim Duke's personal files.
|
| Corylus avellana L. | bark | - |
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
|
| Juglans regia L. | bark | - |
Jim Duke's personal files.
|
| Juniperus communis L. | fruit | - |
Jim Duke's personal files.
|
| Juniperus communis L. | leaf | - |
Jim Duke's personal files.
|
| Juniperus communis L. | stem | - |
Jim Duke's personal files.
|
| Rosa canina L. | fruit | - |
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
|
| Rosa corymbifera Borkh. | fruit | - |
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
|
| Sambucus nigra L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Sambucus nigra L. | bark | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|