TPCN03424

Name Cafemide F
Molecular Formula C36H57NO6
Molecular Weight 599.85
CAS Registry Number 2423991-15-3
SMILES CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)NC56OC6C(O)C4(C)C2CCC1C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Coffea arabica Seeds 0.000018% None 10.1021/acs.jafc.9b08149
Properties
HBA 7 HBD 3
HeavyAtoms 43 AlogP 6.49
TPSA 108.39 RotatableBonds 16
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6