TPCN02882

Name 14??-Benzoyloxy-N-ethyl-13??,15??-dihydroxy-1??,8??,16??,18-tetramethoxyaconitane
Molecular Formula C32H45NO8
Molecular Weight 571.71
CAS Registry Number 2357208-87-6
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC)(C(CC23)C14)C5C6OC(=O)c1ccccc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaelii Roots 0.000183% J Nat Prod 82, 980-989 (2019). 10.1021/acs.jnatprod.8b01039
Properties
HBA 9 HBD 2
HeavyAtoms 41 AlogP 2.14
TPSA 106.92 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6