TPCN03370

Name Aromatin E
Molecular Formula C15H18O3
Molecular Weight 246.31
CAS Registry Number 6754-14-9
SMILES C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)CC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Blumea aromatica Whole plants 0.000429% None 10.1016/j.phytochem.2021.112659
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.28
TPSA 43.37 RotatableBonds 0
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3