TPCN05823

Name (3??,11??)-11-hydroxyolean-12-en-3-yl palmitate
Molecular Formula C46H80O3
Molecular Weight 681.14
CAS Registry Number 1402659-28-2
SMILES CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2C(O)C=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Barringtonia asiatica Barks 0.000167% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Properties
HBA 3 HBD 1
HeavyAtoms 49 AlogP 13.17
TPSA 46.53 RotatableBonds 15
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5