General Characteristics
2D structure
NatID 582
Common Name maslinic acid diacetate
Molecular Formula C34H52O6
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 556.376 g/mol
Other names

 

Representations
Smiles CC(=O)O[C@@H]1C[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)C(C)(C)[C@H]1OC(C)=O
Inchi InChI=1S/C34H52O6/c1-20(35)39-24-19-31(7)25(30(5,6)27(24)40-21(2)36)12-13-33(9)26(31)11-10-22-23-18-29(3,4)14-16-34(23,28(37)38)17-15-32(22,33)8/h10,23-27H,11-19H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
Inchi Key BZDICYRSPZNHNV-LULZRBEKSA-N
3D Structure

 

Calculated Properties
clogP 7.35
TPSA 89.90
HBD 1
HBA 5
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 40
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9787 Mulguraea aspera No High

 

Bioassay ID NPASS ID Target Activity type Activity