TPCN02637

Name 14-acetylneoline
Molecular Formula C26H41NO7
Molecular Weight 479.61
CAS Registry Number 1354-86-5
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(C)=O)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum nagarum Roots 0.000600% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Ranunculaceae Aconitum soongaricum Whole plants 0.000492% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Ranunculaceae Aconitum carmichaeli Roots 0.000200% Nat Prod Res 31, 228-232 (2017). 10.1080/14786419.2016.1219863
Properties
HBA 8 HBD 2
HeavyAtoms 34 AlogP 1.07
TPSA 97.69 RotatableBonds 6
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6