TPCN02459

Name Jatropholone B
Molecular Formula C20H24O2
Molecular Weight 296.41
CAS Registry Number 71386-38-4
SMILES C=C1CCC2C(c3c(C)c(O)c4c(c31)C(=O)C(C)C4)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Jatropha curcas Barks 0.001140% Org Lett 13, 316-319 (2011). 10.1021/ol102802u
Properties
HBA 2 HBD 1
HeavyAtoms 22 AlogP 4.62
TPSA 37.30 RotatableBonds 0
FractionCSP3 0.55 Rings 4
AromaticRings 1 AliphaticRings 3