TPCN02782

Name Racemulotine
Molecular Formula C35H37NO7
Molecular Weight 583.68
CAS Registry Number 433284-59-4
SMILES C=C1CC23C(O)C1C(O)C(OC(=O)c1ccccc1)C2C12CC4CC5(C)C(O4)N(C)C1C3C(OC(=O)c1ccccc1)C52
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum racemulosum Whole plants 0.000275% J Asian Nat Prod Res 3, 49-54 (2001). 10.1080/10286020108042838
Properties
HBA 8 HBD 2
HeavyAtoms 43 AlogP 3.44
TPSA 105.53 RotatableBonds 4
FractionCSP3 0.54 Rings 9
AromaticRings 2 AliphaticRings 7