BETA-ECDYSONE-22-ACETATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11226211
Name
BETA-ECDYSONE-22-ACETATE
IUPAC name
(5R,6R)-5,6-dihydroxy-2-methyl-6-((2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate
SMILES
C[C@]34CC[C@H]1C(=CC(=O)[C@H]2[C@@]1(C[C@@H]([C@@H](C2)O)O)C)[C@@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)OC(C)=O)O)O)O
Molecular formula
C29H46O8
Molecular weight
522.68 g/mol
Monoisotopic mass
522.3193 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Serratula tinctoria L. subsp. monticola (Boreau) Berher | root | - |
Rudel, D., Bathori, M., Gharbi, J., Girault, J.P., Racz, I., Melis, K., Szendrei, K., Lafont, R. (1992). New ecdysteroids from Serratula tinctoria. Planta Med, 58(4), 358-364 doi:10.1055/s-2006-961485
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