TPCN02713

Name 14-Deoxo-3b-O-prorionyl-5a,15b-di-O-acetyl-7b-O-nicotinoyl-myrsinol-14b-acetate
Molecular Formula C35H43NO11
Molecular Weight 653.73
CAS Registry Number 171864-14-5
SMILES C=C(C)C1C=CC(OC(=O)c2cccnc2)C23COC(C)(C(OC(C)=O)C4(OC(C)=O)CC(C)C(OC(=O)CC)C4C2OC(C)=O)C13
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Euphorbia dracunculoides Whole plants 0.000350% Nat Prod Res 29, 1406-1413 (2015). 10.1080/14786419.2014.1002089
Properties
HBA 12 HBD 0
HeavyAtoms 47 AlogP 3.92
TPSA 153.62 RotatableBonds 8
FractionCSP3 0.60 Rings 5
AromaticRings 1 AliphaticRings 4