Retuline; 16-Epimer, O-Ac
AlkaPlorer ID: AK312378
Synonym: O-Acetylisoretuline
IUPAC Name: None
Structure
SMILES: C/C=C1/CN2CCC34C5=CC=CC=C5N(C(C)=O)C3C(COC(C)=O)C1CC24
InChI: InChI=1S/C23H28N2O3/c1-4-16-12-24-10-9-23-19-7-5-6-8-20(19)25(14(2)26)22(23)18(13-28-15(3)27)17(16)11-21(23)24/h4-8,17-18,21-22H,9-13H2,1-3H3/b16-4-
InChIKey: PTRWORWVJKGZCI-XRVIQIRUSA-N
Reference
CAS: 62860-81-5
Source
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Properties Information
Molecule Weight: 380.48800000000017
TPSA？: 49.85
MolLogP？: 2.892900000000002
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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