ACEROCIN
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Name
ACEROCIN
IUPAC name
2-((3R,4R,4aS,6bR,8aR,10S,12aR,12bS,14bS)-4-acetoxy-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3-(((2E,4E)-6-methylocta-2,4-dienoyl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-4a(2H)-yl)acetic acid
SMILES
O[C@@H]1C(C)(C)[C@H](CC[C@]2(C)[C@@H]3CC=C4C2CC[C@]5(CC(O)=O)[C@H]4CC(C)(C)[C@@H](OC(/C=C/C=C/C(CC)C)=O)[C@@H]5OC(C)=O)[C@]3(C)CC1
Molecular formula
C41H62O7
Molecular weight
666.94 g/mol
Monoisotopic mass
666.4496 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Acer negundo L. | leaf | - |
Kupchan, S.M., Takasugi, M., Smith, R.M., Steyn, P.S. (1970). Acerotin and Acerocin, novel triterpene ester aglycones from the tumour-inhibitory saponins of Acer negundo. Chem Commun, 969-970 doi:10.1039/c29700000969
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