4-(2-ethyl-5-hydroxy-1,6-dimethyl-4-oxo-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1-carbonyl)-5-hydroxy-2,3-dihydro-1H-pyrrol-3-one
AlkaPlorer ID: AK501375
Synonym: None
IUPAC Name: 3-[(2-ethyl-5-hydroxy-1,6-dimethyl-4-oxo-2,3,4a,5,8,8a-hexahydronaphthalen-1-yl)-hydroxymethylidene]pyrrolidine-2,4-dione
Structure
SMILES: CCC1CC(=O)C2C(O)C(C)=CCC2C1(C)C(=O)C1=C(O)NCC1=O
InChI: InChI=1S/C19H25NO5/c1-4-10-7-12(21)14-11(6-5-9(2)16(14)23)19(10,3)17(24)15-13(22)8-20-18(15)25/h5,10-11,14,16,20,23,25H,4,6-8H2,1-3H3
InChIKey: QLBLRBBMTXOYJH-UHFFFAOYSA-N
Reference
COCONUT: CNP0352064.1
Source
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Properties Information
Molecule Weight: 347.41100000000006
TPSA？: 103.7
MolLogP？: 1.446
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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