TPCN01577

Name 3 beta-acetoxy-10 beta-hydroxy-6 beta-methoxyeremophil-7(11),8(9)-dien-8,12-olide
Molecular Formula C18H24O6
Molecular Weight 336.38
CAS Registry Number 1198361-55-5
SMILES COC1C2=C(C)C(=O)OC2=CC2(O)CCC(OC(C)=O)C(C)C12C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ligularia hodgsonii Whole plants 0.000300% Planta Med 75(6): 635-640.(2019) 10.1055/s-0029-1185359
Properties
HBA 6 HBD 1
HeavyAtoms 24 AlogP 1.87
TPSA 82.06 RotatableBonds 2
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3