TPCN05080

Name ??-amyrenone
Molecular Formula C30H48O
Molecular Weight 424.71
CAS Registry Number 638-97-1
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
Euphorbiaceae Manihot esculenta Aerial parts 0.000640% Planta Med 69, 271-274 (2003) 10.1055/s-2003-38488
Properties
HBA 1 HBD 0
HeavyAtoms 31 AlogP 8.38
TPSA 17.07 RotatableBonds 0
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5