GERARDIASTERONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11071085
Name
GERARDIASTERONE
IUPAC name
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R,4S)-2,3,4,6-tetrahydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
SMILES
CC(C)(O)C[C@H](O)[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C/3=C/C(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]\3CC[C@]12C
Molecular formula
C27H44O8
Molecular weight
496.64 g/mol
Monoisotopic mass
496.3036 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Serratula tinctoria L. subsp. monticola (Boreau) Berher | aerial parts | - |
Bathori, M., Mathe, I., Girault, J.P., Kalasz, H., Lafont, R. (1998). Isolation and structural elucidation of two plant ecdysteroids, gerardiasterone and 22-epi-20-hydroxyecdysone. J Nat Prod, 61(3), 415-417 doi:10.1021/np970124y
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