TPCN02924

Name 7-Oxo-abieta-8,11,13-trien-18-yl hexadecanoate
Molecular Formula C36H58O3
Molecular Weight 538.86
CAS Registry Number 1004979-06-9
SMILES CCCCCCCCCCCCCCCC(=O)OCC1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Juniperus brevifolia Leaves 0.000161% Phytochemistry 69, 498-505 (2008). 10.1016/j.phytochem.2007.07.026
Properties
HBA 3 HBD 0
HeavyAtoms 39 AlogP 10.49
TPSA 43.37 RotatableBonds 17
FractionCSP3 0.78 Rings 3
AromaticRings 1 AliphaticRings 2