TPCN04581

Name Kadsuric acid;3,4-secolanostane triterpenoids, kadsuric acid
Molecular Formula C30H46O4
Molecular Weight 470.69
CAS Registry Number 62393-88-8
SMILES C=C(C)C1CCC2C(=CCC3(C)C(C(C)CCC=C(C)C(=O)O)CCC23C)C1(C)CCC(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura renchangiana Stems 0.000230% Nat Prod Res 22, 203-207 (2008). 10.1080/14786410600905964
Schisandraceae Schisandra propinqua Aerial parts 0.000225% Planta Med 74(3): 292-295. 10.1055/s-2008-1034306
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 7.66
TPSA 74.60 RotatableBonds 9
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3