TPCN04228

Name ??-amyrin;??-Amyrin
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 638-95-9
SMILES CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Melastomataceae Melastoma malabathricum Leaves 0.006316% J Nat Med. 2010 Oct;64(4):492-5. 10.1007/s11418-010-0431-8.
Ericaceae Rhododendron dauricum Leaves 0.005882% Nat Prod Res: 1-7. 10.1080/14786419.2019.1566822
Lecythidaceae Barringtonia asiatica Barks 0.000042% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 8.02
TPSA 20.23 RotatableBonds 0
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5