TPCN05127

Name N-Benzoylbuxahyrcanine
Molecular Formula C33H50N2O2
Molecular Weight 506.78
CAS Registry Number 552291-00-6
SMILES CC(C1CCC2(C)C3CCC4C(O)(CCC(NC(=O)c5ccccc5)C4(C)C)CC3=CCC12C)N(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus hyrcana Leaves 0.000322% J Nat Prod 66, 739-742 (2003). 10.1021/np020446o
Properties
HBA 4 HBD 2
HeavyAtoms 37 AlogP 6.46
TPSA 52.57 RotatableBonds 4
FractionCSP3 0.73 Rings 5
AromaticRings 1 AliphaticRings 4