TPCN02799

Name 11a,12b-epoxy-18-hydroxy-1bH,2aH-casba-3E,7E-dien-5-one
Molecular Formula C20H30O3
Molecular Weight 318.46
CAS Registry Number 1704720-96-6
SMILES CC1=CCC(=O)C(CO)=CC2C(CCC3(C)OC3CC1)C2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Euphorbia pekinensis Roots 0.000258% Nat Prod Res 29, 1456-1460 (2015). 10.1080/14786419.2015.1027704
Properties
HBA 3 HBD 1
HeavyAtoms 23 AlogP 3.81
TPSA 49.83 RotatableBonds 1
FractionCSP3 0.75 Rings 3
AromaticRings 0 AliphaticRings 3