TPCN04046

Name Dihydrosapelin E acetate
Molecular Formula C32H50O6
Molecular Weight 530.75
CAS Registry Number 1436872-69-3
SMILES CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(=CCC3C3COC(C)(C)C(O)C(O)C3)C12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Kleinhovia hospita Fruits 0.000113% Org Lett 15, 2734-2737 (2013). 10.1021/ol401066j
Properties
HBA 6 HBD 2
HeavyAtoms 38 AlogP 5.24
TPSA 93.06 RotatableBonds 2
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5