TPCN02365

Name 15-O-Acetyl-3,5-O-dipropionyl-7-O-nicotinoylmyrsinol
Molecular Formula C34H41NO10
Molecular Weight 623.70
CAS Registry Number 164079-92-9
SMILES C=C(C)C1C=CC(OC(=O)c2ccccn2)C23COC(C)(C(=O)C4(OC(C)=O)CC(C)C(OC(=O)CC)C4C2OC(=O)CC)C13
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia myrsinites Whole plants 0.002057% Phytochemistry 38, 1457-1462 (1995). 10.1016/0031-9422(94)00806-5
Properties
HBA 11 HBD 0
HeavyAtoms 45 AlogP 3.94
TPSA 144.39 RotatableBonds 8
FractionCSP3 0.59 Rings 5
AromaticRings 1 AliphaticRings 4