TPCN05808

Name (3??)-olean-12-en-3-yl palmitate
Molecular Formula C46H80O2
Molecular Weight 665.14
CAS Registry Number 5973-06-8
SMILES CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Barringtonia asiatica Barks 0.000248% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Properties
HBA 2 HBD 0
HeavyAtoms 48 AlogP 14.20
TPSA 26.30 RotatableBonds 15
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5