TPCN01835

Name 3-Oxo-di-nor-eudesma-4-en-11-oic acid
Molecular Formula C13H18O3
Molecular Weight 222.28
CAS Registry Number 1499777-64-8
SMILES CC1=C2CC(C(=O)O)CCC2(C)CCC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Laggera alata Whole plants 0.000091% Phytochemistry 96: 201-207.(2013) 10.1016/j.phytochem.2013.07.014
Properties
HBA 3 HBD 1
HeavyAtoms 16 AlogP 2.56
TPSA 54.37 RotatableBonds 1
FractionCSP3 0.69 Rings 2
AromaticRings 0 AliphaticRings 2