TPCN03369

Name Aromatin I
Molecular Formula C19H32O3
Molecular Weight 308.46
CAS Registry Number 2763401-74-5
SMILES C=CC1(C)OC2(C)CCC3C(C)(O)CCCC3(C)C2CC1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Blumea aromatica Whole plants 0.000200% None 10.1016/j.phytochem.2021.112659
Properties
HBA 3 HBD 2
HeavyAtoms 22 AlogP 3.44
TPSA 49.69 RotatableBonds 1
FractionCSP3 0.89 Rings 3
AromaticRings 0 AliphaticRings 3