SIMIARENOL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10410123
Name
SIMIARENOL
IUPAC name
(3R,3aR,5aR,5bS,11aS,11bR,13aS,13bR)-3-isopropyl-3a,5a,8,8,11b,13a-hexamethyl-1,2,3,3a,4,5,5a,5b,6,8,10,11,11a,11b,12,13,13a,13b-octadecahydro-9H-cyclopenta[a]chrysen-9-one
SMILES
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC[C@@]4([C@@H]3CC=C5[C@H]4CCC(=O)C5(C)C)C)C)C)C
Molecular formula
C30H48O
Molecular weight
424.71 g/mol
Monoisotopic mass
424.3705 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia peplus L. | - | - |
Hemmers, H., Gulz, P.G., Marner, F.J. (1988). Triterpenoids in epicuticular waxes of three european Euphorbia species. Z Naturforsch Ser C, 43(11/12), 799-805 doi:10.1515/znc-1988-11-1202
|
| Euphorbia peplus L. | stem | - |
Hemmers, H., Gulz, P.G., Marner, F.J. (1988). Triterpenoids in epicuticular waxes of three european Euphorbia species. Z Naturforsch Ser C, 43(11/12), 799-805 doi:10.1515/znc-1988-11-1202
|
| Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum | leaf | - |
Ohmoto, T., Ikuse, M., Natori, S. (1970). Triterpenoids of the Gramineae. Phytochemistry, 9, 2137 doi:10.1016/s0031-9422(00)85379-0
|