TPCN02383

Name Solicanolide
Molecular Formula C20H28O5
Molecular Weight 348.44
CAS Registry Number 1035580-57-4
SMILES CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCC1=CC(=O)OC1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Solidago canadensis Flowers 0.001895% Chem Pharm Bull (Tokyo) 56, 82-84 (2008). 10.1248/cpb.56.82
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 2.66
TPSA 83.83 RotatableBonds 3
FractionCSP3 0.70 Rings 3
AromaticRings 0 AliphaticRings 3