TPCN03255

Name 1,15-dimethoxy-3-hydroxy-14-benzoyl-16-ketoneoline
Molecular Formula C31H41NO8
Molecular Weight 555.67
CAS Registry Number 1355005-34-3
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6C(=O)C(OC)C(O)(C(CC23)C14)C5C6OC(=O)c1ccccc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kusnezoffii Roots 0.000008% Molecules 16, 3345-3350 (2011). 10.3390/molecules16043345
Properties
HBA 9 HBD 2
HeavyAtoms 40 AlogP 1.55
TPSA 114.76 RotatableBonds 7
FractionCSP3 0.74 Rings 7
AromaticRings 1 AliphaticRings 6