TPCN00395

Name Alstiyunnanenines E
Molecular Formula C20H25N2O4+
Molecular Weight 357.43
CAS Registry Number 2229806-54-4
SMILES CC(O)C1C[N+]2(C)CCC34C(=C(C(=O)O)C1CC32)Nc1c(O)cccc14
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia yunnanensis Aerial parts 0.000358% Fitoterapia, 2017, 117, 79-83. 10.1016/j.fitote.2016.12.011
Properties
HBA 6 HBD 4
HeavyAtoms 26 AlogP 1.64
TPSA 89.79 RotatableBonds 2
FractionCSP3 0.55 Rings 5
AromaticRings 1 AliphaticRings 4