TPCN02304

Name 15-O-Acetyl-3-O-propionyl-5-O-butanoyl-7-O-nicotinoylmyrsinol
Molecular Formula C35H43NO10
Molecular Weight 637.73
CAS Registry Number 164079-93-0
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)CCC)C13
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia myrsinites Whole plants 0.002939% Phytochemistry 38, 1457-1462 (1995). 10.1016/0031-9422(94)00806-5
Properties
HBA 11 HBD 0
HeavyAtoms 46 AlogP 4.33
TPSA 144.39 RotatableBonds 9
FractionCSP3 0.60 Rings 5
AromaticRings 1 AliphaticRings 4