General Characteristics
2D structure
NatID 555
Common Name ent-8(14),15-pimaradiene-3β,19-diacetate
Molecular Formula C24H36O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 388.261 g/mol
Other names

 

Representations
Smiles C=C[C@]1(C)C=C2CCC3[C@@](C)(CC[C@@H](OC(C)=O)[C@@]3(C)COC(C)=O)[C@@H]2CC1
Inchi InChI=1S/C24H36O4/c1-7-22(4)12-10-19-18(14-22)8-9-20-23(19,5)13-11-21(28-17(3)26)24(20,6)15-27-16(2)25/h7,14,19-21H,1,8-13,15H2,2-6H3/t19-,20?,21-,22+,23+,24+/m1/s1
Inchi Key RSLSIZYDQKTFDW-ULCUZZCJSA-N
3D Structure

 

Calculated Properties
clogP 5.23
TPSA 52.60
HBD 0
HBA 4
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 28
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9689 Gochnatia glutinosa No Very High García, E. E., Guerreiro, E., & Joseph-Nathan, P. (1985). Ent-pimaradiene diterpenes from gochnatia glutinosa. Phytochemistry, 24(12), 3059–3060. https://doi.org/10.1016/0031-9422(85)80059-5

 

Bioassay ID NPASS ID Target Activity type Activity