TPCN02340

Name 14-benzoylliljestrandisine
Molecular Formula C30H41NO6
Molecular Weight 511.66
CAS Registry Number 2237247-04-8
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(O)CC(O)(C(CC23)C14)C5C6OC(=O)c1ccccc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum tsaii Roots 0.002400% J Asian Nat Prod Res 19, 457-461 (2017). 10.1080/10286020.2016.1234457
Properties
HBA 7 HBD 2
HeavyAtoms 37 AlogP 2.74
TPSA 88.46 RotatableBonds 6
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6