TPCN01404

Name 1 beta,6 alpha-dihydroxycostic acid
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 625455-64-3
SMILES C=C(C(=O)O)C1CCC2(C)C(O)CCC(=C)C2C1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Warionia saharae Leaves 0.000540% Planta Med 69(5): 462-464.(2003) 10.1055/s-2003-39703
Properties
HBA 4 HBD 3
HeavyAtoms 19 AlogP 1.73
TPSA 77.76 RotatableBonds 2
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2