TPCN04157

Name Kleinhospitines D
Molecular Formula C30H37NO4
Molecular Weight 475.63
CAS Registry Number 1436863-07-8
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
Malvaceae Kleinhovia hospita Fruits 0.000025% Org Lett 15, 2734-2737 (2013). 10.1021/ol401066j
Properties
HBA 5 HBD 1
HeavyAtoms 35 AlogP 5.03
TPSA 72.47 RotatableBonds 1
FractionCSP3 0.70 Rings 7
AromaticRings 0 AliphaticRings 7