TPCN02654

Name 12-O-hexadecanoyl-phorbol-13-acetate
Molecular Formula C36H56O8
Molecular Weight 616.84
CAS Registry Number 16561-29-8
SMILES CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Aleurites fordii Leaves 0.000448% Bioorg Med Chem Lett 22, 2318-2320 (2012). 10.1016/j.bmcl.2012.01.057
Properties
HBA 8 HBD 3
HeavyAtoms 44 AlogP 5.75
TPSA 130.36 RotatableBonds 15
FractionCSP3 0.81 Rings 4
AromaticRings 0 AliphaticRings 4