TPCN05852

Name 29-Norlupane-1??-hydroxy-3,20-dione
Molecular Formula C29H46O3
Molecular Weight 442.68
CAS Registry Number 2412444-13-2
SMILES CC(=O)C1CCC2(C)CCC3(C)C(CCC4C5(C)C(O)CC(=O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Phyllanthaceae Phyllanthus acidus Leaves 0.000075% Nat Prod Res. 2019 Dec 9:1-6. 10.1080/14786419.2019.1700252.
Phyllanthaceae Phyllanthus acidus Aerial parts 0.000075% None 10.1080/14786419.2019.1700252
Properties
HBA 3 HBD 1
HeavyAtoms 32 AlogP 6.22
TPSA 54.37 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5