ACEROTIN
Drag to rotate, scroll to zoom
Name
ACEROTIN
IUPAC name
2-((3R,4R,4aS,6bR,8aR,10S,12aR,12bS,14bS)-4-acetoxy-3-(((E)-hex-2-enoyl)oxy)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-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
C1[C@]2([C@H](C([C@H](C1)O)(C)C)CC[C@@]3([C@@H]2CC=C4C3CC[C@@]5([C@H]4CC([C@H]([C@@H]5OC(C)=O)OC(C=CCCC)=O)(C)C)CC(=O)O)C)C
Molecular formula
C38H58O7
Molecular weight
626.88 g/mol
Monoisotopic mass
626.4183 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
|