TPCN04107

Name Turrapubins D
Molecular Formula C29H36O8
Molecular Weight 512.60
CAS Registry Number 1438243-75-4
SMILES C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)C(OC(C)=O)C(O)C2(C)C(c3ccoc3)CC3OC132
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Turraea pubescens Stems 0.000063% J Nat Prod 76, 1166-1174 (2013). 10.1021/np400276q
Properties
HBA 8 HBD 1
HeavyAtoms 37 AlogP 3.74
TPSA 115.57 RotatableBonds 5
FractionCSP3 0.62 Rings 5
AromaticRings 1 AliphaticRings 4