General Characteristics
2D structure
NatID 326
Common Name (10αH)-1α,6β-diacetoxyfuranoeremophilan-9-one
Molecular Formula C19H24O6
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 348.157 g/mol
Other names

 

Representations
Smiles CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12
Inchi InChI=1S/C19H24O6/c1-9-8-23-17-14(9)18(25-12(4)21)19(5)10(2)6-7-13(24-11(3)20)15(19)16(17)22/h8,10,13,15,18H,6-7H2,1-5H3/t10-,13-,15-,18+,19+/m0/s1
Inchi Key FBUJYYRONHLNQF-JTGGRASYSA-N
3D Structure

 

Calculated Properties
clogP 3.37
TPSA 82.81
HBD 0
HBA 6
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9524 Senecio santelisis No Very High Arias Cassará, M. L., Borkosky, S. A., Sierra, M. G., Bardón, A., & Ybarra, M. I. (2010). Two New Furanoeremophilanes from Senecio santelisis. Chemistry & Biodiversity, 7(7), 1745–1753. https://doi.org/10.1002/cbdv.200900080

 

Bioassay ID NPASS ID Target Activity type Activity