TPCN01495

Name Arnicolide D
Molecular Formula C19H24O5
Molecular Weight 332.40
CAS Registry Number 34532-68-8
SMILES C=C(C)C(=O)OC1C2C(CC(C)C3C=CC(=O)C31C)OC(=O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centipeda minima Stems 0.000382% Nat Prod Res 28(12): 914-916.(2014) 10.1080/14786419.2014.889133
Properties
HBA 5 HBD 0
HeavyAtoms 24 AlogP 2.45
TPSA 69.67 RotatableBonds 2
FractionCSP3 0.63 Rings 3
AromaticRings 0 AliphaticRings 3