TPCN02837

Name Geniculatines C
Molecular Formula C34H47NO9
Molecular Weight 613.75
CAS Registry Number 359798-74-6
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC(=O)c7ccc(OC)c(OC)c7)(C(CC23)C14)C5C6OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000220% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 10 HBD 1
HeavyAtoms 44 AlogP 3.33
TPSA 112.99 RotatableBonds 9
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6