TPCN02708

Name Hemsleyaline?;Hemsleyaline
Molecular Formula C34H49NO9
Molecular Weight 615.76
CAS Registry Number 2348431-00-3
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6C(OC)CC(OC)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000360% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Ranunculaceae Aconitum hemsleyanum Roots 0.000360% Natural Product Research, 34(9), 1331-1336 10.1080/14786419.2018.1560292
Properties
HBA 10 HBD 1
HeavyAtoms 44 AlogP 2.65
TPSA 105.15 RotatableBonds 10
FractionCSP3 0.79 Rings 7
AromaticRings 1 AliphaticRings 6