TPCN03159

Name
Molecular Formula C31H35NO8
Molecular Weight 549.62
CAS Registry Number 1375088-80-4
SMILES C=C1CC23CC4C5C6(C)CC(OC(=O)c7ccccc7)C(OC(C)=O)C57C(C2C(O)C1C(OC(C)=O)C37)N4C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaelii Roots 0.000040% J Nat Prod 75, 1145-1159 (2012). 10.1021/np300225t
Properties
HBA 9 HBD 2
HeavyAtoms 40 AlogP 2.06
TPSA 122.60 RotatableBonds 4
FractionCSP3 0.65 Rings 10
AromaticRings 1 AliphaticRings 9