TPCN05214

Name 3??-hydroxy-20-oxo-30-norlupane
Molecular Formula C29H48O2
Molecular Weight 428.70
CAS Registry Number 19891-85-1
SMILES CC(=O)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia nubicola Whole plants 0.000056% Chem Biodivers 2, 910-916 (2005) 10.1002/cbdv.200590067
Properties
HBA 2 HBD 1
HeavyAtoms 31 AlogP 7.04
TPSA 37.30 RotatableBonds 1
FractionCSP3 0.97 Rings 5
AromaticRings 0 AliphaticRings 5