TPCN02337

Name Leroyine
Molecular Formula C22H35NO5
Molecular Weight 393.52
CAS Registry Number 145249-70-3
SMILES CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(CC23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum napellus Aerial parts 0.002439% J Nat Prod 62, 701-704 (1999). 10.1021/np980442c
Properties
HBA 6 HBD 4
HeavyAtoms 28 AlogP 0.37
TPSA 93.39 RotatableBonds 2
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6