TPCN03125

[object Object]
Name Vilmorines B
Molecular Formula C21H27NO3
Molecular Weight 341.45
CAS Registry Number 1793063-29-2
SMILES COC1CC23C4CC5C6(C)C=NC4C5(C(OC)CC6)C24CC1C(=O)C34
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum vilmorinianum Roots 0.000055% Phytochemistry 116, 314-319 (2015). 10.1016/j.phytochem.2015.05.002
Properties
HBA 4 HBD 0
HeavyAtoms 25 AlogP 2.50
TPSA 47.89 RotatableBonds 2
FractionCSP3 0.90 Rings 8
AromaticRings 0 AliphaticRings 8