TPCN01532

Name [11],2a-hydroxycostic acid
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 113762-77-9
SMILES C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Laggera crispata Whole plants 0.000340% J Asian Nat Prod Res 16(3): 318-322.(2014) 10.1080/10286020.2013.867850
Properties
HBA 3 HBD 2
HeavyAtoms 18 AlogP 2.76
TPSA 57.53 RotatableBonds 2
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2