TPCN04530

Name Cycloartenol trans-ferulate
Molecular Formula C40H58O4
Molecular Weight 602.90
CAS Registry Number 286011-27-6
SMILES COc1cc(C=CC(=O)OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)C)CCC3(C)C5CCC4C2(C)C)ccc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Oryza sativa Peels 0.000350% J Nat Prod 68(1): 94-97. 10.1021/np049889d
Properties
HBA 4 HBD 1
HeavyAtoms 44 AlogP 10.15
TPSA 55.76 RotatableBonds 8
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5