TPCN03784

Name Taraxer-3beta-yl octacosanoate
Molecular Formula C58H104O2
Molecular Weight 833.47
CAS Registry Number 1696433-06-3
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(=CCC5(C)CCC(C)(C)CC54)C3(C)CCC2C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Clerodendrum philippinum Whole plants 0.000700% Nat Prod Res 29, 1228-1234 (2015). 10.1080/14786419.2015.1023725
Properties
HBA 2 HBD 0
HeavyAtoms 60 AlogP 18.88
TPSA 26.30 RotatableBonds 27
FractionCSP3 0.95 Rings 5
AromaticRings 0 AliphaticRings 5