TPCN06337

Name Putranjivadione
Molecular Formula C30H48O2
Molecular Weight 440.71
CAS Registry Number 18671-50-6
SMILES CC1C(=O)CCC2C1(C)CC(=O)C1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Euonymus laxiflorus Stems 0.000023% J Nat Prod . 2003 Apr;66(4):554-7 10.1021/np0203988
Properties
HBA 2 HBD 0
HeavyAtoms 32 AlogP 7.64
TPSA 34.14 RotatableBonds 0
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5