TPCN00876

Name 4beta-hydroxy-8alpha-isobutyryloxy-7alpha,10alpha-oxaguaian-12,6beta-olide
Molecular Formula C19H26O6
Molecular Weight 350.41
CAS Registry Number 156789-58-1
SMILES C=C1C(=O)OC2C3C(CCC3(C)O)C3(C)CC(OC(=O)C(C)C)C12O3
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Montanoa tomentosa Aerial parts 0.019600% Planta Med 60(3): 263-266.(1994) 10.1055/s-2006-959472
Properties
HBA 6 HBD 1
HeavyAtoms 25 AlogP 1.74
TPSA 82.06 RotatableBonds 2
FractionCSP3 0.79 Rings 4
AromaticRings 0 AliphaticRings 4