TPCN05205

Name Hyrcamine
Molecular Formula C33H54N2O4
Molecular Weight 542.81
CAS Registry Number 934371-97-8
SMILES CC=C(C)C(=O)NC1CCC23CC24CCC2(C)C(C(C)N(C)C)C(OC(C)=O)CC2(C)C4CCC3C1(C)CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Buxaceae Buxus hyrcana Leaves 0.000075% Chem Biodivers 3, 1039-1052 (2006) 10.1002/cbdv.200690102
Properties
HBA 6 HBD 2
HeavyAtoms 39 AlogP 5.34
TPSA 78.87 RotatableBonds 6
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5