TPCN01009

Name Elemacarmanin
Molecular Formula C20H28O7
Molecular Weight 380.44
CAS Registry Number 105242-48-6
SMILES C=CC1(C)CC(OC(=O)C(=C)CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Onopordum illyricum Aerial parts 0.004111% Fitoterapia 116: 61-65.(2017) 10.1016/j.fitote.2016.11.006
Properties
HBA 7 HBD 3
HeavyAtoms 27 AlogP 0.91
TPSA 113.29 RotatableBonds 8
FractionCSP3 0.50 Rings 1
AromaticRings 0 AliphaticRings 1