TPCN02013

Name Triptregeline H
Molecular Formula C32H37NO11
Molecular Weight 611.64
CAS Registry Number 2197992-91-7
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(O)C2OC(=O)c1cccnc1)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium regelii Stems 0.000016% Fitoterapia 112: 1-8.(2016) 10.1016/j.fitote.2016.04.016
Properties
HBA 12 HBD 2
HeavyAtoms 44 AlogP 2.40
TPSA 167.78 RotatableBonds 7
FractionCSP3 0.53 Rings 5
AromaticRings 2 AliphaticRings 3