TPCN01906

Name 4a,6a-Dihydroxy-1b,5a,7aH-guaia-9(10),11(13)-dien-12,8aolide
Molecular Formula C15H20O4
Molecular Weight 264.32
CAS Registry Number 1350721-04-8
SMILES C=C1C(=O)OC2C=C(C)C3CCC(C)(O)C3C(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula caspica Aerial parts 0.000055% Eur J Med Chem 46(11): 5408-5415.(2011) 10.1016/j.ejmech.2011.08.047
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.18
TPSA 66.76 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3