TPCN06287

Name Castaartancrenoic acid C
Molecular Formula C26H42O5
Molecular Weight 434.62
CAS Registry Number 2306863-92-1
SMILES CC(CCO)C1CCC2(C)C3C(O)CC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fagaceae Castanea crenata Fruits 0.000061% Phytochemistry . 2019 Feb;158:135-141 10.1016/j.phytochem.2018.11.001
Properties
HBA 5 HBD 4
HeavyAtoms 31 AlogP 3.84
TPSA 97.99 RotatableBonds 4
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5