TPCN02600

Name Abieta-8,11,13-trien-18-yl hexadecanoate
Molecular Formula C36H60O2
Molecular Weight 524.87
CAS Registry Number 1004979-05-8
SMILES CCCCCCCCCCCCCCCC(=O)OCC1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Juniperus brevifolia Leaves 0.000573% Phytochemistry 69, 498-505 (2008). 10.1016/j.phytochem.2007.07.026
Properties
HBA 2 HBD 0
HeavyAtoms 38 AlogP 10.84
TPSA 26.30 RotatableBonds 17
FractionCSP3 0.81 Rings 3
AromaticRings 1 AliphaticRings 2