TPCN02618

Name Vilmorrianines C
Molecular Formula C35H49NO9
Molecular Weight 627.78
CAS Registry Number 73870-35-6
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000520% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 10 HBD 0
HeavyAtoms 45 AlogP 3.60
TPSA 101.99 RotatableBonds 10
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6