TPCN02634

Name 14-O-anisoylneoline
Molecular Formula C32H45NO8
Molecular Weight 571.71
CAS Registry Number 640282-28-6
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000500% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 9 HBD 2
HeavyAtoms 41 AlogP 2.38
TPSA 106.92 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6