TPCN04169

Name Kleinhospitines C
Molecular Formula C30H37NO4
Molecular Weight 475.63
CAS Registry Number 1438700-77-6
SMILES CC1=CC2(C=C(C3CCC4(C)C5CCC6C(C)(C)C(=O)C=CC67CC57CCC34C)C(=O)N2)OC1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Turraea pubescens Stems 0.000017% J Nat Prod 76, 1166-1174 (2013). 10.1021/np400276q
Properties
HBA 5 HBD 1
HeavyAtoms 35 AlogP 5.03
TPSA 72.47 RotatableBonds 1
FractionCSP3 0.70 Rings 7
AromaticRings 0 AliphaticRings 7