TPCN04036

Name Turrapubins E
Molecular Formula C29H36O8
Molecular Weight 512.60
CAS Registry Number 1438243-74-3
SMILES C=C1C2C(OC3CC(=O)C(C)(C)C(CC(=O)OC)C32C)C(OC(C)=O)C2(C)C(c3ccoc3)CC3OC132
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Turraea pubescens Stems 0.000125% J Nat Prod 76, 1166-1174 (2013). 10.1021/np400276q
Properties
HBA 8 HBD 0
HeavyAtoms 37 AlogP 3.98
TPSA 104.57 RotatableBonds 4
FractionCSP3 0.69 Rings 6
AromaticRings 1 AliphaticRings 5