TPCN01930

Name Rhaponticol
Molecular Formula C15H24O3
Molecular Weight 252.35
CAS Registry Number 190073-32-6
SMILES C=C1CCCC2(C)CC(O)C(O)(C(=C)CO)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Echinops grijsii Roots 0.000047% J Org Chem 84(17): 10757-10763.(2019) 10.1021/acs.joc.9b01212
Properties
HBA 3 HBD 3
HeavyAtoms 18 AlogP 1.78
TPSA 60.69 RotatableBonds 2
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2