General Characteristics
2D structure
NatID 583
Common Name oleanolic acid acetate
Molecular Formula C32H50O4
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 498.371 g/mol
Other names

 

Representations
Smiles CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C
Inchi InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
Inchi Key RIXNFYQZWDGQAE-DFHVBEEKSA-N
3D Structure

 

Calculated Properties
clogP 7.80
TPSA 63.60
HBD 1
HBA 3
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 36
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9790 Mulguraea aspera No High

 

Bioassay ID NPASS ID Target Activity type Activity