TPCN02620

Name 2-O-acetylorochrine
Molecular Formula C23H30NO4+
Molecular Weight 384.50
CAS Registry Number 959853-59-9
SMILES C=C1CC23CC4(O)C5C6(C)CC(OC(C)=O)CC57C2CC1C(=O)C3C7[N+]4(C)C6
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum orochryseum Aerial parts 0.000520% J Nat Prod 70, 1808-1811 (2007). 10.1021/np070266k
Properties
HBA 5 HBD 1
HeavyAtoms 28 AlogP 2.04
TPSA 63.60 RotatableBonds 1
FractionCSP3 0.83 Rings 9
AromaticRings 0 AliphaticRings 9