TPCN02911

Name Jatrophalone;Macrorilone B
Molecular Formula C20H26O4
Molecular Weight 330.42
CAS Registry Number 1357352-90-9
SMILES C=C1CCC2C(C3C1C1=C(CC(C)(O)C1=O)C(=O)C3(C)O)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia macrorrhiza Whole plants 0.000166% Phytochemistry 122, 246-253 (2016). 10.1016/j.phytochem.2015.12.003
Euphorbiaceae Euphorbia macrorrhiza Whole plants 0.000124% Phytochemistry 122, 246-253 (2016). 10.1016/j.phytochem.2015.12.003
Properties
HBA 4 HBD 2
HeavyAtoms 24 AlogP 2.20
TPSA 74.60 RotatableBonds 0
FractionCSP3 0.70 Rings 4
AromaticRings 0 AliphaticRings 4