TPCN03109

Name Vilmorrianines A
Molecular Formula C35H49NO10
Molecular Weight 643.77
CAS Registry Number 1361-96-2
SMILES CCN1CC2(COC)C(O)CC(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 0.000060% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 11 HBD 1
HeavyAtoms 46 AlogP 2.57
TPSA 122.22 RotatableBonds 10
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6