TPCN02923

Name 11-epi-16a,17-dihydroxylepenine;16, 17-dihydroxylepenine
Molecular Formula C22H35NO5
Molecular Weight 393.52
CAS Registry Number 884867-10-1
SMILES CCN1CC2(C)CCC(O)C34C1C(CC23)C12CCC(C(O)C14)C(O)(CO)C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum brachypodum Roots 0.000162% J Asian Nat Prod Res 18, 908-912 (2016). 10.1080/10286020.2016.1173677
Ranunculaceae Aconitum nagarum Roots 0.000100% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Properties
HBA 6 HBD 5
HeavyAtoms 28 AlogP -0.04
TPSA 104.39 RotatableBonds 2
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7