TPCN05360

Name ??-amyrin-3-(3'-dimethyl) butyrate
Molecular Formula C36H60O2
Molecular Weight 524.87
CAS Registry Number 1607431-11-7
SMILES CC(C)(C)CC(=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
Euphorbiaceae Manilkara zapota Fruits 0.002500% Pharmacognosy Res. 2013. 5, 55-59. 10.4103/0974-8490.110505.
Properties
HBA 2 HBD 0
HeavyAtoms 38 AlogP 10.16
TPSA 26.30 RotatableBonds 2
FractionCSP3 0.92 Rings 5
AromaticRings 0 AliphaticRings 5