TPCN03311

Name Ingenol 20-eicosanoa
Molecular Formula C40H66O6
Molecular Weight 642.96
CAS Registry Number 240803-36-5
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC2C(=O)C3(C=C(C)C(O)C3(O)C1O)C(C)CC1C2C1(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia iberica Aerial parts 0.000320% Planta Medica 65(1999)475—477 10.1055/s-2006-960819
Properties
HBA 6 HBD 3
HeavyAtoms 46 AlogP 8.41
TPSA 104.06 RotatableBonds 20
FractionCSP3 0.85 Rings 4
AromaticRings 0 AliphaticRings 4