TPCN02701

Name 14-hydroxyhetisinone N-oxide
Molecular Formula C20H25NO5
Molecular Weight 359.42
CAS Registry Number 1015699-80-5
SMILES C=C1CC23CC4C5C6(C)CC(=O)CC57C2C(O)C1C(O)C3(O)C7[N+]4([O-])C6
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Delphinium gracile Aerial parts 0.000369% Nat Prod Res 21, 1048-1055 (2007). 10.1080/14786410701536437
Properties
HBA 6 HBD 3
HeavyAtoms 26 AlogP 0.10
TPSA 100.82 RotatableBonds 0
FractionCSP3 0.85 Rings 9
AromaticRings 0 AliphaticRings 9