TPCN02530

Name 2-O-acetyl-7R-hydroxyorochrine
Molecular Formula C23H30NO5+
Molecular Weight 400.50
CAS Registry Number 959853-60-2
SMILES C=C1CC23C4C(=O)C1CC2C12CC(OC(C)=O)CC5(C)C[N+](C)(C41)C(O)(C3O)C52
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum orochryseum Aerial parts 0.000810% J Nat Prod 70, 1808-1811 (2007). 10.1021/np070266k
Properties
HBA 6 HBD 2
HeavyAtoms 29 AlogP 1.01
TPSA 83.83 RotatableBonds 1
FractionCSP3 0.83 Rings 9
AromaticRings 0 AliphaticRings 9