TPCN01327

Name 8??-Ethoxyeremophil-3,7(11)-diene-8??,12(6??,15)-diolide
Molecular Formula C17H20O5
Molecular Weight 304.34
CAS Registry Number 932698-09-4
SMILES CCOC12CC3CCC=C4C(=O)OC(C1=C(C)C(=O)O2)C43C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ligularia lapathifolia Roots 0.000722% J Nat Prod 70(2): 241-245.(2007) 10.1021/np060304k
Properties
HBA 5 HBD 0
HeavyAtoms 22 AlogP 2.26
TPSA 61.83 RotatableBonds 2
FractionCSP3 0.65 Rings 4
AromaticRings 0 AliphaticRings 4