TPCN01876

Name Tomenphantopin C
Molecular Formula C21H28O7
Molecular Weight 392.45
CAS Registry Number 1457958-04-1
SMILES C=C(C)C(=O)OC1CC(C)=CC2(OC)C=C(C)C(O2)C2OC(=O)C(COC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Elephantopus mollis Whole plants 0.000068% Phytochemistry 137: 81-86.(2017) 10.1016/j.phytochem.2017.01.020
Properties
HBA 7 HBD 0
HeavyAtoms 28 AlogP 2.32
TPSA 80.29 RotatableBonds 5
FractionCSP3 0.62 Rings 3
AromaticRings 0 AliphaticRings 3