TPCN04317

Name Compound 2 (??3-amyri);??-amyrin
Molecular Formula C30H50O
Molecular Weight 426.73
CAS Registry Number 559-70-6
SMILES CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia brasiliana Leaves 0.133333% Planta Med 63, 554-555 (1997). 10.1055/s-2006-957764
Verbenaceae Lantana montevidensis Leaves 0.001800% Nat Prod Res 27(21): 2046-2052. 10.1080/14786419.2013.824443
Euphorbiaceae Manihot esculenta Aerial parts 0.000620% Planta Med 69, 271-274 (2003) 10.1055/s-2003-38488
Lecythidaceae Barringtonia asiatica Barks 0.000125% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Properties
HBA 1 HBD 1
HeavyAtoms 31 AlogP 8.17
TPSA 20.23 RotatableBonds 0
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5