TPCN05032

Name Excelsine
Molecular Formula C29H40O4
Molecular Weight 452.64
CAS Registry Number 136051-70-2
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(CO)C(O)CC3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Hippocratea exclesa Aerial parts 0.001127% Planta Med 57, 194-195 (1991). 10.1055/s-2006-960066
Properties
HBA 4 HBD 3
HeavyAtoms 33 AlogP 5.58
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.69 Rings 5
AromaticRings 0 AliphaticRings 5