TPCN01680

Name Racemosalactones C
Molecular Formula C15H22O3
Molecular Weight 250.34
CAS Registry Number 1425376-81-3
SMILES CC1CCCC2(C)CC3OC(=O)C(C)C3(O)C=C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula racemosa Roots 0.000200% J Nat Prod 76(4): 564-570.(2013) 10.1021/np300742d
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.44
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3