General Characteristics
2D structure
NatID 584
Common Name methyl oleanate
Molecular Formula C31H50O3
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 470.376 g/mol
Other names

 

Representations
Smiles COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Inchi InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
Inchi Key BTXWOKJOAGWCSN-JBYJGCOVSA-N
3D Structure

 

Calculated Properties
clogP 7.32
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 34
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9788 Mulguraea aspera No High

 

Bioassay ID NPASS ID Target Activity type Activity