TPCN01480

Name 3 beta-acetoxy-10 beta-hydroxy-6 beta,8 alpha-dimethoxyeremophil-7(11)-en-8 beta,12-olide
Molecular Formula C19H28O7
Molecular Weight 368.43
CAS Registry Number 1198361-57-7
SMILES COC1C2=C(C)C(=O)OC2(OC)CC2(O)CCC(OC(C)=O)C(C)C12C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ligularia hodgsonii Whole plants 0.000400% Planta Med 75(6): 635-640.(2019) 10.1055/s-0029-1185359
Properties
HBA 7 HBD 1
HeavyAtoms 26 AlogP 1.72
TPSA 91.29 RotatableBonds 3
FractionCSP3 0.79 Rings 3
AromaticRings 0 AliphaticRings 3