Paravallarine; 3-Epimer
AlkaPlorer ID: AK309393
Synonym: 3-Epiparavallarine, N-Methylgitingensine
IUPAC Name: 6,13-dimethyl-16-(methylamino)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-8-one
Structure
SMILES: CNC1CCC2(C)C(=CCC3C2CCC24C(=O)OC(C)C2CCC34)C1
InChI: InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3
InChIKey: RSFPISDAJMWREU-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 343.5110000000001
TPSA？: 38.33
MolLogP？: 4.078800000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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