TPCN01254

Name 8,9-dihydroxydshamirone
Molecular Formula C23H34O5
Molecular Weight 390.52
CAS Registry Number 1609211-36-0
SMILES CC(C)=CCCC(C)(O)C(O)CCC(C)=CCCC(=O)c1ccc(O)cc1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Ferula ferulaeoides Roots 0.001100% Planta Med 79(8): 701-706.(2013) 10.1055/s-0032-1328461
Properties
HBA 5 HBD 4
HeavyAtoms 28 AlogP 4.65
TPSA 97.99 RotatableBonds 11
FractionCSP3 0.52 Rings 1
AromaticRings 1 AliphaticRings 0