TPCN03767

Name (E)-buxenone;E-buxenone
Molecular Formula C25H39NO
Molecular Weight 369.59
CAS Registry Number 1053-21-0
SMILES CC=C1C(=O)CC2(C)C3CCC4C(C)(C)C(NC)CCC45CC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Bellis perennis Flowers 0.000767% Chem Pharm Bull (Tokyo), 2008, 56, 559-568. 10.1248/cpb.56.559
Buxaceae Buxus hyrcana Leaves 0.000351% Chem Biodivers 3, 1039-1052 (2006) 10.1002/cbdv.200690102
Properties
HBA 2 HBD 1
HeavyAtoms 27 AlogP 5.52
TPSA 29.10 RotatableBonds 1
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5