(3S,5aS,6S,9aR,9bS)-6-[2-(5-hydroxy-2-methylphenyl)ethyl]-2,3-dimethyl-octahydro-1H-indeno[3,3a-c]pyrrol-7-one
AlkaPlorer ID: AK126121
Synonym: None
IUPAC Name: (3S,3aS,5aS,6S,9aR)-6-[2-(5-hydroxy-2-methylphenyl)ethyl]-2,3-dimethyl-3,3a,4,5,5a,6,8,9-octahydro-1H-indeno[1,7a-c]pyrrol-7-one
Structure
SMILES: CC1=CC=C(O)C=C1CC[C@@H]1C(=O)CC[C@]23CN(C)[C@@H](C)[C@H]2CC[C@@H]13
InChI: InChI=1S/C22H31NO2/c1-14-4-6-17(24)12-16(14)5-7-18-20-9-8-19-15(2)23(3)13-22(19,20)11-10-21(18)25/h4,6,12,15,18-20,24H,5,7-11,13H2,1-3H3/t15-,18-,19+,20-,22-/m0/s1
InChIKey: ZIVGXIAJOZYVLD-RQMTUJCISA-N
Source
Properties Information
Molecule Weight: 341.49500000000006
TPSA？: 40.54
MolLogP？: 3.958820000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
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